(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone

C21H22N4O2 — CID 110391085

IUPAC(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCc1ccc(-c2nnc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C21H22N4O2/c1-16-7-9-18(10-8-16)19-22-23-20(27-19)21(26)25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyYMNBWANOCRXYCQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.00
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone

(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 110391085) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID110391085
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCc1ccc(-c2nnc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C21H22N4O2/c1-16-7-9-18(10-8-16)19-22-23-20(27-19)21(26)25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyYMNBWANOCRXYCQ-UHFFFAOYSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110392272
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17408822
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
(4-benzylpiperazin-1-yl)-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 9071302
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395665
N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 33202572
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 2813970
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752
ethyl 4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazine-1-carboxylate
CID 110392654
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone (CID 110391085) is (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone is Cc1ccc(-c2nnc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is YMNBWANOCRXYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-7-9-18(10-8-16)19-22-23-20(27-19)21(26)25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone?
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 110391085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).