5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile (CAS 613650-92-3) is a chemical compound with molecular formula C18H15N3O and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-(benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile, AB01276612-01, 5-(benzylamino)-2-(m-tolyl)oxazole-4-carbonitrile
| Molecular Formula | C18H15N3O |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 4.1338 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.12152 |
| Heavy Atoms | 22 |
| Complexity | 815.8487 |
Chemical Identifiers
| CAS Number | 613650-92-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(=C(O2)NCC3=CC=CC=C3)C#N |
Product Overview
5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile (CAS 613650-92-3), with molecular formula C18H15N3O and molecular weight 289.12 g/mol. IUPAC: 5-(benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 4.1338 indicates that 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile has 1 hydrogen bond donor(s) and 4 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-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is 613650-92-3.
What is the molecular formula of 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is C18H15N3O.
What is the molecular weight of 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is 289.12 g/mol.
Where can I buy 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(Benzylamino)-2-(3-methylphenyl)-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 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.