5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile
TL;DR: 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile (CAS 613651-53-9) is a chemical compound with molecular formula C13H10ClN3O and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
Also Known As: 5-(allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile, F1096-0120, 2-(2-chlorophenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile, 2-(2-chlorophenyl)-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile, 5-(allylamino)-2-(o-chlorophenyl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C13H10ClN3O |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 3.46458 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.05124 |
| Heavy Atoms | 18 |
| Complexity | 612.9392 |
Chemical Identifiers
| CAS Number | 613651-53-9 |
|---|---|
| SMILES | C=CCNC1=C(N=C(O1)C2=CC=CC=C2Cl)C#N |
Product Overview
5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile (CAS 613651-53-9), with molecular formula C13H10ClN3O and molecular weight 259.05 g/mol. IUPAC: 2-(2-chlorophenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile
Property Insights of 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile
The XLogP value of 3.46458 indicates that 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile has 1 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 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile?
The CAS number of 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile is 613651-53-9.
What is the molecular formula of 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile?
The molecular formula of 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile is C13H10ClN3O.
What is the molecular weight of 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile?
The molecular weight of 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile is 259.05 g/mol.
Where can I buy 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile?
You can request a quote for 5-(Allylamino)-2-(2-chlorophenyl)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-(2-chlorophenyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Allylamino)-2-(2-chlorophenyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.