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

C17H11FN4O — CID 135857495

IUPAC3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)cc1
InChIInChI=1S/C17H11FN4O/c18-13-8-6-12(7-9-13)16-20-17(23-22-16)14-10-19-21-15(14)11-4-2-1-3-5-11/h1-10H,(H,19,21)
InChIKeyKRRGCJFLWXDXKN-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.93
Rot. Bonds3

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

3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 135857495) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
PubChem CID135857495
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)cc1
InChIInChI=1S/C17H11FN4O/c18-13-8-6-12(7-9-13)16-20-17(23-22-16)14-10-19-21-15(14)11-4-2-1-3-5-11/h1-10H,(H,19,21)
InChIKeyKRRGCJFLWXDXKN-UHFFFAOYSA-N
XLogP3.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole (CID 135857495) is 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3cn[nH]c3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is KRRGCJFLWXDXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-8-6-12(7-9-13)16-20-17(23-22-16)14-10-19-21-15(14)11-4-2-1-3-5-11/h1-10H,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 306.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 135857495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).