5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile (CAS 613651-41-5) is a chemical compound with molecular formula C22H22N4O2 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
Also Known As: AF-399/41535121, 5-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile, 5-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)oxazole-4-carbonitrile
| Molecular Formula | C22H22N4O2 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 3.54408 |
| Topological Polar Surface Area | 65.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1743 |
| Heavy Atoms | 28 |
| Complexity | 952.4519 |
Chemical Identifiers
| CAS Number | 613651-41-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=C(O2)N3CCN(CC3)CC4=CC=CC=C4)C#N |
Product Overview
5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile (CAS 613651-41-5), with molecular formula C22H22N4O2 and molecular weight 374.17 g/mol. IUPAC: 5-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 3.54408 indicates that 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile has 0 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 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile is 613651-41-5.
What is the molecular formula of 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile is C22H22N4O2.
What is the molecular weight of 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile is 374.17 g/mol.
Where can I buy 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-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-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Benzylpiperazin-1-yl)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.