5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
TL;DR: 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile (CAS 613649-86-8) is a chemical compound with molecular formula C17H12N4O4 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyanilino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-((4-methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile, 5-[(4-methoxyphenyl)amino]-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile, F1096-0011, 5-(4-methoxyanilino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C17H12N4O4 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 3.87368 |
| Topological Polar Surface Area | 114.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.08585 |
| Heavy Atoms | 25 |
| Complexity | 940.27435 |
Chemical Identifiers
| CAS Number | 613649-86-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N |
Product Overview
5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile (CAS 613649-86-8), with molecular formula C17H12N4O4 and molecular weight 336.09 g/mol. IUPAC: 5-(4-methoxyanilino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
Property Insights of 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
The XLogP value of 3.87368 indicates that 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 7 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 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The CAS number of 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is 613649-86-8.
What is the molecular formula of 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The molecular formula of 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is C17H12N4O4.
What is the molecular weight of 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The molecular weight of 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is 336.09 g/mol.
Where can I buy 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
You can request a quote for 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)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 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Methoxyphenyl)amino)-2-(4-nitrophenyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.