5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C22H26N4O — CID 120758013

IUPAC5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1ccc(C2CNCCN2Cc2noc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-2-17-8-10-19(11-9-17)20-15-23-12-13-26(20)16-21-24-22(27-25-21)14-18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3
InChIKeyBFGADAQVQYXXQC-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.37
Rot. Bonds6

About 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 120758013) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID120758013
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1ccc(C2CNCCN2Cc2noc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-2-17-8-10-19(11-9-17)20-15-23-12-13-26(20)16-21-24-22(27-25-21)14-18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3
InChIKeyBFGADAQVQYXXQC-UHFFFAOYSA-N
XLogP3.37
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-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 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 120758013) is 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CCc1ccc(C2CNCCN2Cc2noc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BFGADAQVQYXXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-17-8-10-19(11-9-17)20-15-23-12-13-26(20)16-21-24-22(27-25-21)14-18-6-4-3-5-7-18/h3-11,20,23H,2,12-16H2,1H3.
What are the key properties of 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 362.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 120758013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).