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

C19H18ClFN4O — CID 17409652

IUPAC2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C19H18ClFN4O/c20-15-6-2-1-5-14(15)19-23-22-18(26-19)13-24-9-11-25(12-10-24)17-8-4-3-7-16(17)21/h1-8H,9-13H2
InChIKeyFAPLUZYCNICVOG-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.85
Rot. Bonds4

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

2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 17409652) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID17409652
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C19H18ClFN4O/c20-15-6-2-1-5-14(15)19-23-22-18(26-19)13-24-9-11-25(12-10-24)17-8-4-3-7-16(17)21/h1-8H,9-13H2
InChIKeyFAPLUZYCNICVOG-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-(2-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-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 17409652) is 2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Fc1ccccc1N1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is FAPLUZYCNICVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c20-15-6-2-1-5-14(15)19-23-22-18(26-19)13-24-9-11-25(12-10-24)17-8-4-3-7-16(17)21/h1-8H,9-13H2.
What are the key properties of 2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[[4-(2-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-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 17409652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).