5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile (CAS 613651-24-4) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-(azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile, 5-(azepan-1-yl)-2-(m-tolyl)oxazole-4-carbonitrile, 5-(1-azepanyl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C17H19N3O |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 3.9021 |
| Topological Polar Surface Area | 53.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.1528 |
| Heavy Atoms | 21 |
| Complexity | 660.91504 |
Chemical Identifiers
| CAS Number | 613651-24-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC(=C(O2)N3CCCCCC3)C#N |
Product Overview
5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile (CAS 613651-24-4), with molecular formula C17H19N3O and molecular weight 281.15 g/mol. IUPAC: 5-(azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 3.9021 indicates that 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.06 Ų, 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile has 0 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-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is 613651-24-4.
What is the molecular formula of 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is C17H19N3O.
What is the molecular weight of 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is 281.15 g/mol.
Where can I buy 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(Azepan-1-yl)-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-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Azepan-1-yl)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.