3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide
TL;DR: 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide (CAS 321532-14-3) is a chemical compound with molecular formula C13H9Cl2N5O2 and molecular weight 337.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide
Also Known As: BAS 00629242, 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide, 3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [1,2,4]triazol-4-ylamide, [3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-N-(1,2,4-triazol-4-yl)carboxami de, 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-4-isoxazolecarboxamide
| Molecular Formula | C13H9Cl2N5O2 |
|---|---|
| Molecular Weight | 337.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.01334 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 321532-14-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NN3C=NN=C3 |
| InChIKey | AGMQKWUVLYPZHJ-UHFFFAOYSA-N |
Product Overview
3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide (CAS 321532-14-3), with molecular formula C13H9Cl2N5O2 and molecular weight 337.01 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide
Property Insights of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide has 1 hydrogen bond donor(s) and 5 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-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide?
The CAS number of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide is 321532-14-3.
What is the molecular formula of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide?
The molecular formula of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide is C13H9Cl2N5O2.
What is the molecular weight of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide?
The molecular weight of 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide is 337.01 g/mol.
Where can I buy 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide?
You can request a quote for 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-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-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.