5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
TL;DR: 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile (CAS 613649-78-8) is a chemical compound with molecular formula C13H10N4O3 and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
Also Known As: 5-(allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile, F1096-0025, 2-(4-nitrophenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile, 2-(4-nitrophenyl)-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile, 2-(4-nitrophenyl)-5-(prop-2-en-1-ylamino)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C13H10N4O3 |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 2.71938 |
| Topological Polar Surface Area | 104.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0753 |
| Heavy Atoms | 20 |
| Complexity | 682.6321 |
Chemical Identifiers
| CAS Number | 613649-78-8 |
|---|---|
| SMILES | C=CCNC1=C(N=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile (CAS 613649-78-8), with molecular formula C13H10N4O3 and molecular weight 270.08 g/mol. IUPAC: 2-(4-nitrophenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
Property Insights of 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile
The XLogP value of 2.71938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile. The TPSA of 104.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(Allylamino)-2-(4-nitrophenyl)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 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The CAS number of 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is 613649-78-8.
What is the molecular formula of 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The molecular formula of 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is C13H10N4O3.
What is the molecular weight of 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
The molecular weight of 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile is 270.08 g/mol.
Where can I buy 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
You can request a quote for 5-(Allylamino)-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-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Allylamino)-2-(4-nitrophenyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.