N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
TL;DR: N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 61643-45-6) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide, N-(3-cyanophenyl)-5-methyl-4-isoxazolecarboxamide, N-(3-Cyanophenyl)-5-methylisoxazole-4-carboxamide, AP-501/43160661, 4-Isoxazolecarboxamide, N-(3-cyanophenyl)-5-methyl-
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 2.107 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 595.79333 |
Chemical Identifiers
| CAS Number | 61643-45-6 |
|---|---|
| SMILES | CC1=C(C=NO1)C(=O)NC2=CC=CC(=C2)C#N |
Product Overview
N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 61643-45-6), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Property Insights of N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
The XLogP value of 2.107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyanophenyl)-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-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, N-(3-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 N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The CAS number of N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is 61643-45-6.
What is the molecular formula of N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular formula of N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is C12H9N3O2.
What is the molecular weight of N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular weight of N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide is 227.07 g/mol.
Where can I buy N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
You can request a quote for N-(3-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 N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.