3-(4-fluorophenyl)-1,2,4-oxadiazole

C8H5FN2O — CID 19046149

IUPAC3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2ncon2)cc1
InChIInChI=1S/C8H5FN2O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H
InChIKeyNHIDNLOFDCZWKS-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.88
Rot. Bonds1

About 3-(4-fluorophenyl)-1,2,4-oxadiazole

3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 19046149) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID19046149
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2ncon2)cc1
InChIInChI=1S/C8H5FN2O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H
InChIKeyNHIDNLOFDCZWKS-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 19046149) is 3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is NHIDNLOFDCZWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H.
What are the key properties of 3-(4-fluorophenyl)-1,2,4-oxadiazole?
3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 164.14 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19046149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).