Cas no 1351590-54-9 (3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate)
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate Chemical and Physical Properties
Names and Identifiers
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- 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate
- DTXSID401118377
- VU0541371-1
- [3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl] N-(4-fluorophenyl)carbamate
- AKOS024544790
- 3-(5-phenylisoxazole-3-carboxamido)cyclohexyl (4-fluorophenyl)carbamate
- F6250-0485
- 1351590-54-9
- Carbamic acid, N-(4-fluorophenyl)-, 3-[[(5-phenyl-3-isoxazolyl)carbonyl]amino]cyclohexyl ester
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- Inchi: 1S/C23H22FN3O4/c24-16-9-11-17(12-10-16)26-23(29)30-19-8-4-7-18(13-19)25-22(28)20-14-21(31-27-20)15-5-2-1-3-6-15/h1-3,5-6,9-12,14,18-19H,4,7-8,13H2,(H,25,28)(H,26,29)
- InChI Key: ACSSJRQHXHGPQC-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)NC(=O)OC1CCCC(C1)NC(C1C=C(C2C=CC=CC=2)ON=1)=O
Computed Properties
- Exact Mass: 423.15943435g/mol
- Monoisotopic Mass: 423.15943435g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 608
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 93.5?2
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Life Chemicals | F6250-0485-2μmol |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 2μmol |
$57.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-5μmol |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 5μmol |
$63.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-10μmol |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 10μmol |
$69.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-20μmol |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 20μmol |
$79.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-1mg |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 1mg |
$54.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-2mg |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 2mg |
$59.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-3mg |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 3mg |
$63.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-4mg |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 4mg |
$66.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-5mg |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 5mg |
$69.0 | 2023-09-09 | ||
| Life Chemicals | F6250-0485-10mg |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate |
1351590-54-9 | 10mg |
$79.0 | 2023-09-09 |
3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
Additional information on 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate
Professional Introduction to Compound with CAS No. 1351590-54-9 and Product Name: 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate
The compound with the CAS number 1351590-54-9 and the product name 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate represents a significant advancement in the field of medicinal chemistry. This compound has garnered considerable attention due to its unique structural features and potential therapeutic applications. The molecular framework of this compound integrates several key pharmacophoric elements that contribute to its biological activity, making it a promising candidate for further investigation in drug discovery and development.
The core structure of the compound consists of a cyclohexyl moiety linked to an amide group, which is further connected to a 5-phenyl-1,2-oxazole ring. The presence of the 5-phenyl-1,2-oxazole moiety is particularly noteworthy, as oxazole derivatives have been extensively studied for their bioactivity in various therapeutic areas. The phenyl group attached to the oxazole ring introduces additional electronic and steric properties, which can modulate the compound's interaction with biological targets. This structural feature has been exploited in the design of numerous pharmacological agents, including those targeting neurological disorders and inflammatory conditions.
The N-(4-fluorophenyl)carbamate component of the compound adds another layer of complexity and functionality. The fluorine atom in the phenyl ring is a well-known pharmacophore that can enhance the metabolic stability and binding affinity of drug candidates. Fluoro-substituted compounds are frequently employed in medicinal chemistry due to their ability to improve pharmacokinetic properties, such as bioavailability and half-life. The combination of these structural elements in 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate suggests a multifaceted approach to drug design, potentially offering advantages over simpler analogs.
Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the biological activity of complex molecules with greater accuracy. These tools have been instrumental in understanding how the structural features of 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate influence its interactions with biological targets. For instance, studies using molecular dynamics simulations have revealed that the cyclohexyl group and the amide bond contribute significantly to the compound's binding affinity for certain enzymes and receptors. These insights have guided the optimization of analogs with improved potency and selectivity.
In addition to computational studies, experimental investigations have provided valuable insights into the pharmacological properties of this compound. Preliminary in vitro assays have demonstrated that 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate exhibits inhibitory activity against several target enzymes relevant to neurological disorders. The presence of the 5-phenyl-1,2-oxazole moiety appears to be critical for this activity, as modifications to this group have resulted in significant reductions in potency. These findings align with previous reports indicating that oxazole derivatives can modulate neurotransmitter systems involved in conditions such as depression and anxiety.
The role of fluorine in enhancing biological activity has also been highlighted by these studies. The N-(4-fluorophenyl)carbamate group not only improves metabolic stability but also contributes to favorable interactions with biological targets. This dual functionality makes 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate a particularly interesting candidate for further development. Researchers are exploring its potential as a lead compound for drugs targeting neurodegenerative diseases, where both enzyme inhibition and receptor modulation are crucial.
Future directions in the study of this compound include exploring its mechanism of action in vivo and assessing its potential for therapeutic use. Animal models will be employed to evaluate its efficacy and safety profiles, providing critical data for determining its suitability for clinical development. Additionally, efforts are underway to optimize synthetic routes for large-scale production, ensuring that sufficient quantities of this promising compound can be generated for preclinical and clinical studies.
The integration of innovative chemical design principles with advanced computational tools has positioned 3-(5-phenyl-1,2-oxazole-3-amido)cyclohexyl N-(4-fluorophenyl)carbamate as a leading candidate in medicinal chemistry research. Its unique structural features and demonstrated bioactivity make it a valuable asset in the quest for novel therapeutic agents. As research continues to uncover new applications for this compound, it holds great promise for addressing unmet medical needs across various therapeutic areas.
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