N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
TL;DR: N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 349398-53-4) is a chemical compound with molecular formula C13H9Cl2N3O2 and molecular weight 309.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: BAS 00629134, N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide, N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide, 3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid cyanomethyl-amide, N~4~-(CYANOMETHYL)-3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXAMIDE
| Molecular Formula | C13H9Cl2N3O2 |
|---|---|
| Molecular Weight | 309.01 g/mol |
| LogP | 3.2102 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.00717 |
| Heavy Atoms | 20 |
| Complexity | 683.8772 |
Chemical Identifiers
| CAS Number | 349398-53-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC#N |
Product Overview
N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 349398-53-4), with molecular formula C13H9Cl2N3O2 and molecular weight 309.01 g/mol. IUPAC: N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Property Insights of N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
The XLogP value of 3.2102 indicates that N-(cyanomethyl)-3-(2,6-dichlorophenyl)-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 N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-3-(2,6-dichlorophenyl)-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-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The CAS number of N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is 349398-53-4.
What is the molecular formula of N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular formula of N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is C13H9Cl2N3O2.
What is the molecular weight of N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular weight of N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is 309.01 g/mol.
Where can I buy N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
You can request a quote for N-(cyanomethyl)-3-(2,6-dichlorophenyl)-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-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.