2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C19H18ClFN4O — CID 15990280

IUPAC2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1
InChIInChI=1S/C19H18ClFN4O/c20-17-4-2-1-3-16(17)19-23-22-18(26-19)13-24-9-11-25(12-10-24)15-7-5-14(21)6-8-15/h1-8H,9-13H2
InChIKeySNHGMEXKJDIVQD-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.85
Rot. Bonds4

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

2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 15990280) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID15990280
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1
InChIInChI=1S/C19H18ClFN4O/c20-17-4-2-1-3-16(17)19-23-22-18(26-19)13-24-9-11-25(12-10-24)15-7-5-14(21)6-8-15/h1-8H,9-13H2
InChIKeySNHGMEXKJDIVQD-UHFFFAOYSA-N
XLogP3.85
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-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-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 15990280) is 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Fc1ccc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is SNHGMEXKJDIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c20-17-4-2-1-3-16(17)19-23-22-18(26-19)13-24-9-11-25(12-10-24)15-7-5-14(21)6-8-15/h1-8H,9-13H2.
What are the key properties of 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 372.83 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 15990280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).