3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole

C10H7FN2O — CID 21448233

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole
SMILESFc1ccc(/C=C/c2ncon2)cc1
InChIInChI=1S/C10H7FN2O/c11-9-4-1-8(2-5-9)3-6-10-12-7-14-13-10/h1-7H/b6-3+
InChIKeyZAMQOEGKTJELQU-ZZXKWVIFSA-N
MW190.18 g/mol
LogP2.38
Rot. Bonds2

About 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole

3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole (PubChem CID 21448233) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole
PubChem CID21448233
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole
SMILESFc1ccc(/C=C/c2ncon2)cc1
InChIInChI=1S/C10H7FN2O/c11-9-4-1-8(2-5-9)3-6-10-12-7-14-13-10/h1-7H/b6-3+
InChIKeyZAMQOEGKTJELQU-ZZXKWVIFSA-N
XLogP2.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole (CID 21448233) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole is Fc1ccc(/C=C/c2ncon2)cc1.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is ZAMQOEGKTJELQU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-9-4-1-8(2-5-9)3-6-10-12-7-14-13-10/h1-7H/b6-3+.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole?
3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 190.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 21448233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).