ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate
TL;DR: ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate (CAS 25680-33-5) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate
Also Known As: ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate, ethyl (1E)-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 25680-33-5 |
|---|---|
| SMILES | CCOC=NC1=C(N=C(O1)C2=CC=CC=C2)C#N |
| InChIKey | HPARQAUNSSJOSQ-UHFFFAOYSA-N |
Product Overview
ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate (CAS 25680-33-5), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate.
Chemical Property Profile of ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate
Property Insights of ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate. Following Lipinski's Rule of Five, ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate has 0 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 ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate?
The CAS number of ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate is 25680-33-5.
What is the molecular formula of ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate?
The molecular formula of ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate is C13H11N3O2.
What is the molecular weight of ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate?
The molecular weight of ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate is 241.09 g/mol.
Where can I buy ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate?
You can request a quote for ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)methanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.