5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile (CAS 613649-92-6) is a chemical compound with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile, 5-(3,5-dimethyl-piperidin-1-yl)-2-(4-nitro-phenyl)-oxazole-4-carbonitrile, 5-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 3.60378 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 781.1572 |
Chemical Identifiers
| CAS Number | 613649-92-6 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C |
Product Overview
5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile (CAS 613649-92-6), with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol. IUPAC: 5-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 3.60378 indicates that 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-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-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile is 613649-92-6.
What is the molecular formula of 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile is C17H18N4O3.
What is the molecular weight of 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile is 326.14 g/mol.
Where can I buy 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(3,5-Dimethylpiperidin-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-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-Dimethylpiperidin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.