Cas no 147330-60-7 (3-(1-phenylethyl)-1,2-oxazol-5-amine)
3-(1-phenylethyl)-1,2-oxazol-5-amine Chemical and Physical Properties
Names and Identifiers
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- 5-Isoxazolamine, 3-(1-phenylethyl)-
- 3-(1-phenylethyl)-1,2-oxazol-5-amine
- 147330-60-7
- EN300-1861841
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- Inchi: 1S/C11H12N2O/c1-8(9-5-3-2-4-6-9)10-7-11(12)14-13-10/h2-8H,12H2,1H3
- InChI Key: PVONZPCXIYMVEQ-UHFFFAOYSA-N
- SMILES: O1C(=CC(C(C)C2C=CC=CC=2)=N1)N
Computed Properties
- Exact Mass: 188.094963011Da
- Monoisotopic Mass: 188.094963011Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 52.1?2
3-(1-phenylethyl)-1,2-oxazol-5-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1861841-0.05g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 0.05g |
$924.0 | 2023-09-18 | ||
| Enamine | EN300-1861841-0.1g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 0.1g |
$968.0 | 2023-09-18 | ||
| Enamine | EN300-1861841-0.25g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 0.25g |
$1012.0 | 2023-09-18 | ||
| Enamine | EN300-1861841-0.5g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 0.5g |
$1056.0 | 2023-09-18 | ||
| Enamine | EN300-1861841-1.0g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 1g |
$1100.0 | 2023-05-23 | ||
| Enamine | EN300-1861841-2.5g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 2.5g |
$2155.0 | 2023-09-18 | ||
| Enamine | EN300-1861841-5.0g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 5g |
$3189.0 | 2023-05-23 | ||
| Enamine | EN300-1861841-10.0g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 10g |
$4729.0 | 2023-05-23 | ||
| Enamine | EN300-1861841-1g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 1g |
$1100.0 | 2023-09-18 | ||
| Enamine | EN300-1861841-5g |
3-(1-phenylethyl)-1,2-oxazol-5-amine |
147330-60-7 | 5g |
$3189.0 | 2023-09-18 |
3-(1-phenylethyl)-1,2-oxazol-5-amine Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Additional information on 3-(1-phenylethyl)-1,2-oxazol-5-amine
Professional Introduction to Compound with CAS No. 147330-60-7 and Product Name 3-(1-phenylethyl)-1,2-oxazol-5-amine
Compound with the CAS number 147330-60-7 and the product name 3-(1-phenylethyl)-1,2-oxazol-5-amine represents a significant advancement in the field of pharmaceutical chemistry. This compound, belonging to the oxazole class of heterocyclic compounds, has garnered considerable attention due to its unique structural properties and potential applications in medicinal chemistry. The oxazole ring, characterized by its oxygen and sulfur atoms forming a five-membered aromatic system, is known for its versatility in drug design. Specifically, the presence of an amine group at the 5-position and an ethylphenyl substituent at the 3-position introduces specific chemical functionalities that can modulate biological activity.
The structural motif of 3-(1-phenylethyl)-1,2-oxazol-5-amine has been extensively studied for its pharmacological properties. Oxazole derivatives are widely recognized for their role in various therapeutic areas, including antimicrobial, anti-inflammatory, and anticancer applications. The amine group at the 5-position of the oxazole ring provides a site for hydrogen bonding interactions with biological targets, while the phenylethyl side chain contributes to hydrophobic interactions and can influence binding affinity. These features make this compound a promising candidate for further exploration in drug development.
Recent research has highlighted the importance of 3-(1-phenylethyl)-1,2-oxazol-5-amine in the design of novel therapeutic agents. Studies have demonstrated that oxazole derivatives can exhibit significant inhibitory effects on certain enzymes and receptors involved in disease pathways. For instance, modifications of the oxazole core have been shown to enhance binding affinity to target proteins, leading to improved pharmacological activity. The ethylphenyl substituent in particular has been noted for its ability to fine-tune the compound's interaction with biological targets, making it a valuable scaffold for structure-based drug design.
In addition to its potential as a standalone therapeutic agent, 3-(1-phenylethyl)-1,2-oxazol-5-amine has been explored as a key intermediate in the synthesis of more complex molecules. Its unique structural features allow for further functionalization, enabling chemists to develop libraries of derivatives with tailored biological activities. This flexibility is particularly valuable in high-throughput screening programs aimed at identifying new lead compounds for drug discovery.
The compound's stability under various conditions has also been a focus of recent studies. Oxazole derivatives are known for their robust chemical properties, which make them suitable for long-term storage and transportation without significant degradation. This stability is crucial for pharmaceutical applications, where maintaining the integrity of active ingredients is essential. Furthermore, the ease with which 3-(1-phenylethyl)-1,2-oxazol-5-amine can be synthesized from commercially available starting materials underscores its practicality as a building block in medicinal chemistry.
From a computational chemistry perspective, virtual screening methods have been employed to evaluate the potential of 3-(1-phenylethyl)-1,2-oxazol-5-amine as a drug candidate. Molecular docking simulations have revealed that this compound can interact effectively with several biological targets relevant to human health. These simulations provide valuable insights into how the compound's structure influences its binding affinity and selectivity, guiding further optimization efforts.
The synthesis of 3-(1-phenylethyl)-1,2-oxazol-5-amine involves multi-step organic reactions that highlight the ingenuity of modern synthetic methodologies. The process typically begins with the formation of the oxazole ring through cyclization reactions involving appropriate precursors. Subsequent functionalization steps introduce the amine group and the ethylphenyl substituent. Advances in catalytic techniques have enabled more efficient and environmentally friendly synthetic routes, reducing waste and improving yields.
The pharmacokinetic properties of 3-(1-phenylethyl)-1,2-oxazol-5-amine are another area of active investigation. Understanding how a compound is absorbed, distributed, metabolized, and excreted (ADME) is critical for assessing its clinical potential. Preliminary studies suggest that this compound exhibits favorable pharmacokinetic profiles, including reasonable bioavailability and metabolic stability. These characteristics are essential for developing safe and effective drugs that can be administered orally or via other routes.
In conclusion,3-(1 phenylethyl)-1 2 oxazol 5 amine (CAS No: 147330 60 7) represents a compelling example of how structural innovation in heterocyclic chemistry can lead to novel therapeutic agents. Its unique combination of functional groups makes it a versatile scaffold for drug discovery efforts targeting various diseases. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in pharmaceutical development.
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