5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile
TL;DR: 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile (CAS 613669-44-6) is a chemical compound with molecular formula C21H19FN4O and molecular weight 362.15 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-fluorophenyl)-1,3-oxazole-4-carbonitrile
Also Known As: AB01312313-01, 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile, 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)oxazole-4-carbonitrile
| Molecular Formula | C21H19FN4O |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 3.67458 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1543 |
| Heavy Atoms | 27 |
| Complexity | 938.563 |
Chemical Identifiers
| CAS Number | 613669-44-6 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=C(N=C(O3)C4=CC=C(C=C4)F)C#N |
Product Overview
5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile (CAS 613669-44-6), with molecular formula C21H19FN4O and molecular weight 362.15 g/mol. IUPAC: 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile
Property Insights of 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile
The XLogP value of 3.67458 indicates that 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-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 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The CAS number of 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile is 613669-44-6.
What is the molecular formula of 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The molecular formula of 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile is C21H19FN4O.
What is the molecular weight of 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The molecular weight of 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile is 362.15 g/mol.
Where can I buy 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile?
You can request a quote for 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-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-fluorophenyl)-1,3-oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Benzylpiperazin-1-yl)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.