2-Phenyl-1,3-oxazole-4-carbonitrile
TL;DR: 2-Phenyl-1,3-oxazole-4-carbonitrile (CAS 55613-13-3) is a chemical compound with molecular formula C10H6N2O and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3-oxazole-4-carbonitrile
Also Known As: 2-phenyl-1,3-oxazole-4-carbonitrile, 4-Oxazolecarbonitrile, 2-phenyl-, 2-Aminooxazole-4-carbonitrile, 2-Phenyloxazole-4-carbonitrile, 4-cyano-2-phenyl-1,3-oxazole
| Molecular Formula | C10H6N2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.21328 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04802 |
| Heavy Atoms | 13 |
| Complexity | 439.44833 |
Chemical Identifiers
| CAS Number | 55613-13-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CO2)C#N |
Product Overview
2-Phenyl-1,3-oxazole-4-carbonitrile (CAS 55613-13-3), with molecular formula C10H6N2O and molecular weight 170.05 g/mol. IUPAC: 2-phenyl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-Phenyl-1,3-oxazole-4-carbonitrile
Property Insights of 2-Phenyl-1,3-oxazole-4-carbonitrile
The XLogP value of 2.21328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,3-oxazole-4-carbonitrile. With a topological polar surface area (TPSA) of 49.82 Ų, 2-Phenyl-1,3-oxazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1,3-oxazole-4-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 2-Phenyl-1,3-oxazole-4-carbonitrile?
The CAS number of 2-Phenyl-1,3-oxazole-4-carbonitrile is 55613-13-3.
What is the molecular formula of 2-Phenyl-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-Phenyl-1,3-oxazole-4-carbonitrile is C10H6N2O.
What is the molecular weight of 2-Phenyl-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-Phenyl-1,3-oxazole-4-carbonitrile is 170.05 g/mol.
Where can I buy 2-Phenyl-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-Phenyl-1,3-oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.