3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide
TL;DR: 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 310452-98-3) is a chemical compound with molecular formula C15H11ClN4O2 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: BAS 00628961, 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide, [3-(2-chlorophenyl)-5-methylisoxazol-4-yl]-N,N-bis(cyanomethyl)carboxamide, 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-4-isoxazolecarboxamide, 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methylisoxazole-4-carboxamide
| Molecular Formula | C15H11ClN4O2 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.05707 |
| Heavy Atoms | 22 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 310452-98-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(CC#N)CC#N |
| InChIKey | KXFCOTSWDOZFQM-UHFFFAOYSA-N |
Product Overview
3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide (CAS 310452-98-3), with molecular formula C15H11ClN4O2 and molecular weight 314.06 g/mol. IUPAC: 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide
Property Insights of 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide has 0 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-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The CAS number of 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide is 310452-98-3.
What is the molecular formula of 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular formula of 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide is C15H11ClN4O2.
What is the molecular weight of 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The molecular weight of 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide is 314.06 g/mol.
Where can I buy 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide?
You can request a quote for 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-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,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-N,N-bis(cyanomethyl)-5-methyl-1,2-oxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.