2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole

C25H29BrN4O — CID 92719968

IUPAC2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H29BrN4O/c26-21-13-11-19(12-14-21)23(25-28-27-24(31-25)20-7-3-1-4-8-20)30-17-15-29(16-18-30)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m0/s1
InChIKeyZSQOWYUMZIIMRO-QHCPKHFHSA-N
MW481.44 g/mol
LogP5.54
Rot. Bonds5

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

2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 92719968) has the molecular formula C25H29BrN4O and a molecular weight of 481.44 g/mol. Its IUPAC name is 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID92719968
Molecular FormulaC25H29BrN4O
Molecular Weight481.44 g/mol
Exact Mass480.15
IUPAC Name2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H29BrN4O/c26-21-13-11-19(12-14-21)23(25-28-27-24(31-25)20-7-3-1-4-8-20)30-17-15-29(16-18-30)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m0/s1
InChIKeyZSQOWYUMZIIMRO-QHCPKHFHSA-N
XLogP5.54
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-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-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 92719968) is 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is Brc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZSQOWYUMZIIMRO-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29BrN4O/c26-21-13-11-19(12-14-21)23(25-28-27-24(31-25)20-7-3-1-4-8-20)30-17-15-29(16-18-30)22-9-5-2-6-10-22/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10,15-18H2/t23-/m0/s1.
What are the key properties of 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 481.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(4-bromophenyl)-(4-cyclohexylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 92719968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).