5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C27H28N4O — CID 1287395

IUPAC5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C27H28N4O/c1-21-12-14-24(15-13-21)27-28-25(32-29-27)20-30-16-18-31(19-17-30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3
InChIKeyGOTAIPBZIBLSEC-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.95
Rot. Bonds6

About 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 1287395) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID1287395
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C27H28N4O/c1-21-12-14-24(15-13-21)27-28-25(32-29-27)20-30-16-18-31(19-17-30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3
InChIKeyGOTAIPBZIBLSEC-UHFFFAOYSA-N
XLogP4.95
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-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-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 1287395) is 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is GOTAIPBZIBLSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-21-12-14-24(15-13-21)27-28-25(32-29-27)20-30-16-18-31(19-17-30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3.
What are the key properties of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 424.55 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1287395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).