5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile
TL;DR: 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile (CAS 613650-19-4) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxyanilino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
Also Known As: 5-(4-ethoxyanilino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile, 5-(4-ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile, AF-399/41535287, 5-(4-ethoxyanilino)-2-thien-2-yl-1,3-oxazole-4-carbonitrile, 5-[(4-ethoxyphenyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.41708 |
| Topological Polar Surface Area | 71.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 785.9128 |
Chemical Identifiers
| CAS Number | 613650-19-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CS3)C#N |
Product Overview
5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile (CAS 613650-19-4), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 5-(4-ethoxyanilino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile
Property Insights of 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile
The XLogP value of 4.41708 indicates that 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile. Following Lipinski's Rule of Five, 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile 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-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
The CAS number of 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile is 613650-19-4.
What is the molecular formula of 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
The molecular formula of 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile is C16H13N3O2S.
What is the molecular weight of 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
The molecular weight of 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile is 311.07 g/mol.
Where can I buy 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
You can request a quote for 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.