2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
TL;DR: 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile (CAS 459420-68-9) is a chemical compound with molecular formula C17H12FN3O2 and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
Also Known As: 2-(4-fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile, 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile, 2-(4-Fluoro-phenyl)-5-(4-methoxy-phenylamino)-oxazole-4-carbonitrile, 2-(4-fluorophenyl)-5-((4-methoxyphenyl)amino)oxazole-4-carbonitrile, 2-(4-fluorophenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C17H12FN3O2 |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.09137 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 459420-68-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N |
| InChIKey | LUSOSEJHURWLPR-UHFFFAOYSA-N |
Product Overview
2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile (CAS 459420-68-9), with molecular formula C17H12FN3O2 and molecular weight 309.09 g/mol. IUPAC: 2-(4-fluorophenyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
Property Insights of 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
The XLogP value of 4.5 indicates that 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-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 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile?
The CAS number of 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile is 459420-68-9.
What is the molecular formula of 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile?
The molecular formula of 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile is C17H12FN3O2.
What is the molecular weight of 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile?
The molecular weight of 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile is 309.09 g/mol.
Where can I buy 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile?
You can request a quote for 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.