5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile
TL;DR: 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile (CAS 906512-02-5) is a chemical compound with molecular formula C11H6N4O and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(4-cyanophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-amino-2-(4-cyanophenyl)oxazole-4-carbonitrile, NCI60_020771, 5-Amino-2-(4-cyano-phenyl)-oxazole-4-carbonitrile, J3.050.042C, 2-(4-Cyanophenyl)-5-aminooxazole-4-carbonitrile
| Molecular Formula | C11H6N4O |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 99.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.05415 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 906512-02-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=NC(=C(O2)N)C#N |
| InChIKey | BZMLXJFTRHKSLB-UHFFFAOYSA-N |
Product Overview
5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile (CAS 906512-02-5), with molecular formula C11H6N4O and molecular weight 210.05 g/mol. IUPAC: 5-amino-2-(4-cyanophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile
Property Insights of 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile has 1 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 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile?
The CAS number of 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile is 906512-02-5.
What is the molecular formula of 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile?
The molecular formula of 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile is C11H6N4O.
What is the molecular weight of 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile?
The molecular weight of 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile is 210.05 g/mol.
Where can I buy 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile?
You can request a quote for 5-Amino-2-(4-cyanophenyl)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-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.