5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole

C17H10F2N4O — CID 53138390

IUPAC5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)c(F)c1
InChIInChI=1S/C17H10F2N4O/c18-12-4-5-13(14(19)9-12)17-21-16(23-24-17)11-3-1-2-10(8-11)15-6-7-20-22-15/h1-9H,(H,20,22)
InChIKeyLPTZSZNLDCKMCX-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.07
Rot. Bonds3

About 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole

5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138390) has the molecular formula C17H10F2N4O and a molecular weight of 324.29 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138390
Molecular FormulaC17H10F2N4O
Molecular Weight324.29 g/mol
Exact Mass324.08
IUPAC Name5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)c(F)c1
InChIInChI=1S/C17H10F2N4O/c18-12-4-5-13(14(19)9-12)17-21-16(23-24-17)11-3-1-2-10(8-11)15-6-7-20-22-15/h1-9H,(H,20,22)
InChIKeyLPTZSZNLDCKMCX-UHFFFAOYSA-N
XLogP4.07
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-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-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole (CID 53138390) is 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)c(F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is LPTZSZNLDCKMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O/c18-12-4-5-13(14(19)9-12)17-21-16(23-24-17)11-3-1-2-10(8-11)15-6-7-20-22-15/h1-9H,(H,20,22).
What are the key properties of 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 324.29 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).