![5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile structure](/static/products/613/613650-04-7.png)
5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile (CAS 613650-04-7) is a chemical compound with molecular formula C15H10ClN3OS and molecular weight 315.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
Also Known As: 5-((4-chlorobenzyl)amino)-2-(thiophen-2-yl)oxazole-4-carbonitrile, 5-[(4-chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile, 5-[(4-chlorophenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
| Molecular Formula | C15H10ClN3OS |
|---|---|
| Molecular Weight | 315.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.02332 |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 613650-04-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(O2)NCC3=CC=C(C=C3)Cl)C#N |
| InChIKey | AFILDYDBLXSSMU-UHFFFAOYSA-N |
Product Overview
5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile (CAS 613650-04-7), with molecular formula C15H10ClN3OS and molecular weight 315.02 g/mol. IUPAC: 5-[(4-chlorophenyl)methylamino]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
The XLogP value of 4.8 indicates that 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-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-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile is 613650-04-7.
What is the molecular formula of 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile is C15H10ClN3OS.
What is the molecular weight of 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile is 315.02 g/mol.
Where can I buy 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-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-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Chlorobenzyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.