2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole

C22H25FN4O2 — CID 13062016

IUPAC2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole
SMILESFc1ccc(N2CCN(CCCCOc3ccccc3-c3nnco3)CC2)cc1
InChIInChI=1S/C22H25FN4O2/c23-18-7-9-19(10-8-18)27-14-12-26(13-15-27)11-3-4-16-28-21-6-2-1-5-20(21)22-25-24-17-29-22/h1-2,5-10,17H,3-4,11-16H2
InChIKeyUSHSVFDGVAFZBO-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.86
Rot. Bonds8

About 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole

2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 13062016) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole
PubChem CID13062016
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole
SMILESFc1ccc(N2CCN(CCCCOc3ccccc3-c3nnco3)CC2)cc1
InChIInChI=1S/C22H25FN4O2/c23-18-7-9-19(10-8-18)27-14-12-26(13-15-27)11-3-4-16-28-21-6-2-1-5-20(21)22-25-24-17-29-22/h1-2,5-10,17H,3-4,11-16H2
InChIKeyUSHSVFDGVAFZBO-UHFFFAOYSA-N
XLogP3.86
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole (CID 13062016) is 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole is Fc1ccc(N2CCN(CCCCOc3ccccc3-c3nnco3)CC2)cc1.
What is the InChIKey of 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is USHSVFDGVAFZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-18-7-9-19(10-8-18)27-14-12-26(13-15-27)11-3-4-16-28-21-6-2-1-5-20(21)22-25-24-17-29-22/h1-2,5-10,17H,3-4,11-16H2.
What are the key properties of 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole?
2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 396.47 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]butoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 13062016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).