2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile
TL;DR: 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile (CAS 613651-44-8) is a chemical compound with molecular formula C11H8ClN3O and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
Also Known As: 2-(2-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile, 2-(2-chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile, AB00384695-04, 2-(2-chlorophenyl)-5-(methylamino)oxazole-4-carbonitrile
| Molecular Formula | C11H8ClN3O |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.03558 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 613651-44-8 |
|---|---|
| SMILES | CNC1=C(N=C(O1)C2=CC=CC=C2Cl)C#N |
| InChIKey | XDZDENBDOGWINS-UHFFFAOYSA-N |
Product Overview
2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile (CAS 613651-44-8), with molecular formula C11H8ClN3O and molecular weight 233.04 g/mol. IUPAC: 2-(2-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile
Property Insights of 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile
The XLogP value of 3.5 indicates that 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile. Following Lipinski's Rule of Five, 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile 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 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile?
The CAS number of 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile is 613651-44-8.
What is the molecular formula of 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile?
The molecular formula of 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile is C11H8ClN3O.
What is the molecular weight of 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile?
The molecular weight of 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile is 233.04 g/mol.
Where can I buy 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile?
You can request a quote for 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.