N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide
TL;DR: N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide (CAS 400083-75-2) is a chemical compound with molecular formula C12H8ClN3O2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide, N-(4-chlorophenyl)-3-cyano-5-methyl-4-isoxazolecarboxamide, 5G-944, N-(4-chlorophenyl)-3-cyano-5-methyl-isoxazole-4-carboxamide
| Molecular Formula | C12H8ClN3O2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 2.7604 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.03052 |
| Heavy Atoms | 18 |
| Complexity | 625.7623 |
Chemical Identifiers
| CAS Number | 400083-75-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C#N)C(=O)NC2=CC=C(C=C2)Cl |
Product Overview
N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide (CAS 400083-75-2), with molecular formula C12H8ClN3O2 and molecular weight 261.03 g/mol. IUPAC: N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide
Property Insights of N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide
The XLogP value of 2.7604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide has 1 hydrogen bond donor(s) and 4 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 N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide?
The CAS number of N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide is 400083-75-2.
What is the molecular formula of N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide?
The molecular formula of N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide is C12H8ClN3O2.
What is the molecular weight of N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide?
The molecular weight of N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide is 261.03 g/mol.
Where can I buy N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide?
You can request a quote for N-(4-chlorophenyl)-3-cyano-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 N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-3-cyano-5-methyl-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.