2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
TL;DR: 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile (CAS 613669-50-4) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
Also Known As: 2-(4-ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile, 2-(4-ethoxyphenyl)-5-(methylamino)oxazole-4-carbonitrile
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 2.65368 |
| Topological Polar Surface Area | 71.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 566.91254 |
Chemical Identifiers
| CAS Number | 613669-50-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NC(=C(O2)NC)C#N |
Product Overview
2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile (CAS 613669-50-4), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 2-(4-ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
Property Insights of 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
The XLogP value of 2.65368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile. The TPSA of 71.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-(4-Ethoxyphenyl)-5-(methylamino)-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 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The CAS number of 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is 613669-50-4.
What is the molecular formula of 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is C13H13N3O2.
What is the molecular weight of 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is 243.10 g/mol.
Where can I buy 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-(4-Ethoxyphenyl)-5-(methylamino)-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 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethoxyphenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.