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

C17H10F2N4O — CID 42584880

IUPAC3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)[nH]n2)cc1
InChIInChI=1S/C17H10F2N4O/c18-11-7-5-10(6-8-11)14-9-15(22-21-14)17-20-16(23-24-17)12-3-1-2-4-13(12)19/h1-9H,(H,21,22)
InChIKeyBVNRBSOIFHVVDE-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.07
Rot. Bonds3

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

3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 42584880) has the molecular formula C17H10F2N4O and a molecular weight of 324.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID42584880
Molecular FormulaC17H10F2N4O
Molecular Weight324.29 g/mol
Exact Mass324.08
IUPAC Name3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)[nH]n2)cc1
InChIInChI=1S/C17H10F2N4O/c18-11-7-5-10(6-8-11)14-9-15(22-21-14)17-20-16(23-24-17)12-3-1-2-4-13(12)19/h1-9H,(H,21,22)
InChIKeyBVNRBSOIFHVVDE-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 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-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 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 42584880) is 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is Fc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)[nH]n2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is BVNRBSOIFHVVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O/c18-11-7-5-10(6-8-11)14-9-15(22-21-14)17-20-16(23-24-17)12-3-1-2-4-13(12)19/h1-9H,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-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 3-(2-fluorophenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 42584880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).