2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
TL;DR: 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (CAS 613650-84-3) is a chemical compound with molecular formula C16H18N4O and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Also Known As: 2-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile, 5-(4-methylpiperazin-1-yl)-2-(o-tolyl)oxazole-4-carbonitrile
| Molecular Formula | C16H18N4O |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 2.2735 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.14807 |
| Heavy Atoms | 21 |
| Complexity | 677.8257 |
Chemical Identifiers
| CAS Number | 613650-84-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC(=C(O2)N3CCN(CC3)C)C#N |
Product Overview
2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile (CAS 613650-84-3), with molecular formula C16H18N4O and molecular weight 282.15 g/mol. IUPAC: 2-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
Property Insights of 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
The XLogP value of 2.2735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile. With a topological polar surface area (TPSA) of 56.3 Ų, 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile has 0 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-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The CAS number of 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is 613650-84-3.
What is the molecular formula of 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is C16H18N4O.
What is the molecular weight of 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile is 282.15 g/mol.
Where can I buy 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-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-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methylphenyl)-5-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.