2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile
TL;DR: 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile (CAS 613649-85-7) is a chemical compound with molecular formula C18H14N4O3 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
Also Known As: 2-(4-nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile, AB01288269-01, 2-(4-nitrophenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile, F1096-0016, 2-(4-nitro-phenyl)-5-phenethylamino-oxazole-4-carbonitrile
| Molecular Formula | C18H14N4O3 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 3.77608 |
| Topological Polar Surface Area | 104.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.1066 |
| Heavy Atoms | 25 |
| Complexity | 911.74426 |
Chemical Identifiers
| CAS Number | 613649-85-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N |
Product Overview
2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile (CAS 613649-85-7), with molecular formula C18H14N4O3 and molecular weight 334.11 g/mol. IUPAC: 2-(4-nitrophenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile
Property Insights of 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile
The XLogP value of 3.77608 indicates that 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 6 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-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile?
The CAS number of 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile is 613649-85-7.
What is the molecular formula of 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile?
The molecular formula of 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile is C18H14N4O3.
What is the molecular weight of 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile?
The molecular weight of 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile is 334.11 g/mol.
Where can I buy 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile?
You can request a quote for 2-(4-Nitrophenyl)-5-(phenethylamino)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-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-5-(phenethylamino)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.