3-(4-Nitrophenyl)-1,2-oxazole
TL;DR: 3-(4-Nitrophenyl)-1,2-oxazole (CAS 4264-05-5) is a chemical compound with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-1,2-oxazole
Also Known As: 3-(4-Nitrophenyl)isoxazole, 3-(4-nitrophenyl)-1,2-oxazole, 3-p-Nitrophenylisoxazole, 3-(4-nitrophenyl)-isoxazole, 3-(4-Nitrophenyl)isoxazole #
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 4264-05-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC=C2)[N+](=O)[O-] |
| InChIKey | XXAAKZGOIOIOQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Nitrophenyl)-1,2-oxazole (CAS 4264-05-5), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 3-(4-nitrophenyl)-1,2-oxazole.
Chemical Property Profile of 3-(4-Nitrophenyl)-1,2-oxazole
Property Insights of 3-(4-Nitrophenyl)-1,2-oxazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenyl)-1,2-oxazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)-1,2-oxazole. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)-1,2-oxazole has 0 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 3-(4-Nitrophenyl)-1,2-oxazole?
The CAS number of 3-(4-Nitrophenyl)-1,2-oxazole is 4264-05-5.
What is the molecular formula of 3-(4-Nitrophenyl)-1,2-oxazole?
The molecular formula of 3-(4-Nitrophenyl)-1,2-oxazole is C9H6N2O3.
What is the molecular weight of 3-(4-Nitrophenyl)-1,2-oxazole?
The molecular weight of 3-(4-Nitrophenyl)-1,2-oxazole is 190.04 g/mol.
Where can I buy 3-(4-Nitrophenyl)-1,2-oxazole?
You can request a quote for 3-(4-Nitrophenyl)-1,2-oxazole 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?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.