3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile
TL;DR: 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile (CAS 134935-87-8) is a chemical compound with molecular formula C10H5N3O3 and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-1,2-oxazole-5-carbonitrile
Also Known As: 3-(4-nitrophenyl)-1,2-oxazole-5-carbonitrile, BAS 03213329, 3-(4-nitrophenyl)isoxazole-5-carbonitrile, 3-(4-Nitro-phenyl)-isoxazole-5-carbonitrile
| Molecular Formula | C10H5N3O3 |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 2.12148 |
| Topological Polar Surface Area | 92.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.0331 |
| Heavy Atoms | 16 |
| Complexity | 565.74036 |
Chemical Identifiers
| CAS Number | 134935-87-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=C2)C#N)[N+](=O)[O-] |
Product Overview
3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile (CAS 134935-87-8), with molecular formula C10H5N3O3 and molecular weight 215.03 g/mol. IUPAC: 3-(4-nitrophenyl)-1,2-oxazole-5-carbonitrile.
Chemical Property Profile of 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile
Property Insights of 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile
The XLogP value of 2.12148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile. The TPSA of 92.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile 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-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile?
The CAS number of 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile is 134935-87-8.
What is the molecular formula of 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile?
The molecular formula of 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile is C10H5N3O3.
What is the molecular weight of 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile?
The molecular weight of 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile is 215.03 g/mol.
Where can I buy 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile?
You can request a quote for 3-(4-Nitrophenyl)-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-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)-1,2-oxazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.