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

C17H11FN4O — CID 53138378

IUPAC5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)cc1
InChIInChI=1S/C17H11FN4O/c18-14-6-4-11(5-7-14)17-20-16(22-23-17)13-3-1-2-12(10-13)15-8-9-19-21-15/h1-10H,(H,19,21)
InChIKeyCRXXLCXRLOFKDY-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.93
Rot. Bonds3

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

5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138378) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138378
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)cc1
InChIInChI=1S/C17H11FN4O/c18-14-6-4-11(5-7-14)17-20-16(22-23-17)13-3-1-2-12(10-13)15-8-9-19-21-15/h1-10H,(H,19,21)
InChIKeyCRXXLCXRLOFKDY-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 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole (CID 53138378) is 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole is Fc1ccc(-c2nc(-c3cccc(-c4ccn[nH]4)c3)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is CRXXLCXRLOFKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-14-6-4-11(5-7-14)17-20-16(22-23-17)13-3-1-2-12(10-13)15-8-9-19-21-15/h1-10H,(H,19,21).
What are the key properties of 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-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 5-(4-fluorophenyl)-3-[3-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).