2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole

C17H15F2N5O — CID 162657748

IUPAC2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c(F)c1
InChIInChI=1S/C17H15F2N5O/c18-12-4-5-13(14(19)11-12)16-21-22-17(25-16)24-9-7-23(8-10-24)15-3-1-2-6-20-15/h1-6,11H,7-10H2
InChIKeyJDYATWHUSHCNRV-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.74
Rot. Bonds3

About 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole

2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 162657748) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID162657748
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c(F)c1
InChIInChI=1S/C17H15F2N5O/c18-12-4-5-13(14(19)11-12)16-21-22-17(25-16)24-9-7-23(8-10-24)15-3-1-2-6-20-15/h1-6,11H,7-10H2
InChIKeyJDYATWHUSHCNRV-UHFFFAOYSA-N
XLogP2.74
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-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-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 162657748) is 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is JDYATWHUSHCNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-12-4-5-13(14(19)11-12)16-21-22-17(25-16)24-9-7-23(8-10-24)15-3-1-2-6-20-15/h1-6,11H,7-10H2.
What are the key properties of 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 343.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162657748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).