![2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile structure](/static/products/457/457951-82-5.png)
2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile
TL;DR: 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile (CAS 457951-82-5) is a chemical compound with molecular formula C18H14FN3O and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
Also Known As: AB01312338-01, 2-(4-fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile, 2-(4-fluorophenyl)-5-((4-methylbenzyl)amino)oxazole-4-carbonitrile, 2-(4-fluorophenyl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile, 2-(4-FLUOROPHENYL)-5-{[(4-METHYLPHENYL)METHYL]AMINO}-1,3-OXAZOLE-4-CARBONITRILE
| Molecular Formula | C18H14FN3O |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.1121 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 457951-82-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N |
| InChIKey | NBXWSBWBKXAKJD-UHFFFAOYSA-N |
Product Overview
2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile (CAS 457951-82-5), with molecular formula C18H14FN3O and molecular weight 307.11 g/mol. IUPAC: 2-(4-fluorophenyl)-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile
Property Insights of 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile
The XLogP value of 4.9 indicates that 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-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-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile?
The CAS number of 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile is 457951-82-5.
What is the molecular formula of 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile is C18H14FN3O.
What is the molecular weight of 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile is 307.11 g/mol.
Where can I buy 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-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-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-5-[(4-methylbenzyl)amino]-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.