2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole

C20H22N4O — CID 3959338

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(CN2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyPQAOSMFYTVFYMA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.05
Rot. Bonds5

About 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole

2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 3959338) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID3959338
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(CN2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyPQAOSMFYTVFYMA-UHFFFAOYSA-N
XLogP3.05
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-benzylpiperazin-1-yl)methyl]-5-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-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 3959338) is 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(CN2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PQAOSMFYTVFYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-7-17(8-4-1)15-23-11-13-24(14-12-23)16-19-21-22-20(25-19)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 3959338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).