3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
TL;DR: 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 519017-76-6) is a chemical compound with molecular formula C18H12ClN3O2 and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide, (3-(2-chlorophenyl)-5-methylisoxazol-4-yl)-N-(4-nitrilophenyl)formamide, 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-isoxazole-4-carboxamide
| Molecular Formula | C18H12ClN3O2 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 4.4274 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.0618 |
| Heavy Atoms | 24 |
| Complexity | 939.6429 |
Chemical Identifiers
| CAS Number | 519017-76-6 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)C#N |
Product Overview
3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 519017-76-6), with molecular formula C18H12ClN3O2 and molecular weight 337.06 g/mol. IUPAC: 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Property Insights of 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
The XLogP value of 4.4274 indicates that 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-N-(4-cyanophenyl)-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 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The CAS number of 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is 519017-76-6.
What is the molecular formula of 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular formula of 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is C18H12ClN3O2.
What is the molecular weight of 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular weight of 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is 337.06 g/mol.
Where can I buy 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
You can request a quote for 3-(2-chlorophenyl)-N-(4-cyanophenyl)-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)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-N-(4-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.