Cas no 2229327-76-6 (5-(4,4-Dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid)
5-(4,4-Dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid is a specialized heterocyclic compound featuring a 1,2-oxazole (isoxazole) core substituted with a carboxylic acid group at the 4-position and a 4,4-dimethylcyclohexyl moiety at the 5-position. This structure imparts unique steric and electronic properties, making it a valuable intermediate in organic synthesis and medicinal chemistry. The cyclohexyl group enhances lipophilicity, while the carboxylic acid functionality allows for further derivatization. Its rigid framework is advantageous in designing bioactive molecules, particularly in pharmaceutical research targeting enzyme inhibition or receptor modulation. The compound’s well-defined stereochemistry and functional group compatibility support precise structural modifications for advanced applications.
2229327-76-6 structure
Product Name:5-(4,4-Dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid
CAS No:2229327-76-6
MF:C12H17NO3
MW:223.268283605576
CID:5773953
PubChem ID:165680942
Update Time:2025-06-08
5-(4,4-Dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid
- EN300-1732970
- 2229327-76-6
- 5-(4,4-Dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid
-
- Inchi: 1S/C12H17NO3/c1-12(2)5-3-8(4-6-12)10-9(11(14)15)7-13-16-10/h7-8H,3-6H2,1-2H3,(H,14,15)
- InChI Key: FRPCKHPJCGYZKV-UHFFFAOYSA-N
- SMILES: O1C(=C(C(=O)O)C=N1)C1CCC(C)(C)CC1
Computed Properties
- Exact Mass: 223.12084340g/mol
- Monoisotopic Mass: 223.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 63.3?2
5-(4,4-Dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1732970-1g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 1g |
$1272.0 | 2023-09-20 | ||
| Enamine | EN300-1732970-5g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 5g |
$3687.0 | 2023-09-20 | ||
| Enamine | EN300-1732970-10g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 10g |
$5467.0 | 2023-09-20 | ||
| Enamine | EN300-1732970-0.05g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 0.05g |
$1068.0 | 2023-09-20 | ||
| Enamine | EN300-1732970-0.1g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 0.1g |
$1119.0 | 2023-09-20 | ||
| Enamine | EN300-1732970-0.25g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 0.25g |
$1170.0 | 2023-09-20 | ||
| Enamine | EN300-1732970-0.5g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 0.5g |
$1221.0 | 2023-09-20 | ||
| Enamine | EN300-1732970-1.0g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 1g |
$1272.0 | 2023-06-04 | ||
| Enamine | EN300-1732970-2.5g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 2.5g |
$2492.0 | 2023-09-20 | ||
| Enamine | EN300-1732970-5.0g |
5-(4,4-dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid |
2229327-76-6 | 5g |
$3687.0 | 2023-06-04 |
5-(4,4-Dimethylcyclohexyl)-1,2-oxazole-4-carboxylic acid Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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