3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile
TL;DR: 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile (CAS 51726-18-2) is a chemical compound with molecular formula C10H5ClN2O and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-1,2-oxazole-5-carbonitrile
Also Known As: BAS 03213347, 3-(3-chlorophenyl)-1,2-oxazole-5-carbonitrile, 3-(3-chlorophenyl)isoxazole-5-carbonitrile, 3-(3-Chloro-phenyl)-isoxazole-5-carbonitrile
| Molecular Formula | C10H5ClN2O |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.86668 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.00903 |
| Heavy Atoms | 14 |
| Complexity | 498.81827 |
Chemical Identifiers
| CAS Number | 51726-18-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NOC(=C2)C#N |
Product Overview
3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile (CAS 51726-18-2), with molecular formula C10H5ClN2O and molecular weight 204.01 g/mol. IUPAC: 3-(3-chlorophenyl)-1,2-oxazole-5-carbonitrile.
Chemical Property Profile of 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile
Property Insights of 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile
The XLogP value of 2.86668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile. With a topological polar surface area (TPSA) of 49.82 Ų, 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile has 0 hydrogen bond donor(s) and 3 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-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile?
The CAS number of 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile is 51726-18-2.
What is the molecular formula of 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile?
The molecular formula of 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile is C10H5ClN2O.
What is the molecular weight of 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile?
The molecular weight of 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile is 204.01 g/mol.
Where can I buy 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile?
You can request a quote for 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chlorophenyl)-1,2-oxazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.