5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile (CAS 613649-95-9) is a chemical compound with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile, 5-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile, 5-(4-Methyl-piperazin-1-yl)-2-(4-nitro-phenyl)-oxazole-4-carbonitrile
| Molecular Formula | C15H15N5O3 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 1.87328 |
| Topological Polar Surface Area | 99.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1175 |
| Heavy Atoms | 23 |
| Complexity | 754.4098 |
Chemical Identifiers
| CAS Number | 613649-95-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N |
Product Overview
5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile (CAS 613649-95-9), with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol. IUPAC: 5-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 1.87328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile. The TPSA of 99.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 7 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-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile is 613649-95-9.
What is the molecular formula of 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile is C15H15N5O3.
What is the molecular weight of 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile is 313.12 g/mol.
Where can I buy 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-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-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.