3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
TL;DR: 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 53013-51-7) is a chemical compound with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide, 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide, BAS 00629012, 3-(2'-chlorophenyl)-5-methylisoxazole-4-carboxamide
| Molecular Formula | C11H9ClN2O2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.03525 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 53013-51-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N |
| InChIKey | OZFANALXKZFARG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 53013-51-7), with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Property Insights of 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The CAS number of 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is 53013-51-7.
What is the molecular formula of 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular formula of 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is C11H9ClN2O2.
What is the molecular weight of 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular weight of 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is 236.04 g/mol.
Where can I buy 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
You can request a quote for 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.