![5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile structure](/static/products/844/844454-85-9.png)
5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile (CAS 844454-85-9) is a chemical compound with molecular formula C20H16ClN5O3 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile, 5-(4-(3-chlorophenyl)piperazin-1-yl)-2-(2-nitrophenyl)oxazole-4-carbonitrile
| Molecular Formula | C20H16ClN5O3 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 4.10148 |
| Topological Polar Surface Area | 99.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.09418 |
| Heavy Atoms | 29 |
| Complexity | 1099.4913 |
Chemical Identifiers
| CAS Number | 844454-85-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(N=C(O3)C4=CC=CC=C4[N+](=O)[O-])C#N |
Product Overview
5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile (CAS 844454-85-9), with molecular formula C20H16ClN5O3 and molecular weight 409.09 g/mol. IUPAC: 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 4.10148 indicates that 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-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-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile is 844454-85-9.
What is the molecular formula of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile is C20H16ClN5O3.
What is the molecular weight of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile is 409.09 g/mol.
Where can I buy 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-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-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.