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

C9H7FN2O — CID 54362686

IUPAC3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2ncon2)cc1
InChIInChI=1S/C9H7FN2O/c10-8-3-1-7(2-4-8)5-9-11-6-13-12-9/h1-4,6H,5H2
InChIKeyUNPHVPYKGWCWHF-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.80
Rot. Bonds2

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

3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 54362686) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID54362686
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2ncon2)cc1
InChIInChI=1S/C9H7FN2O/c10-8-3-1-7(2-4-8)5-9-11-6-13-12-9/h1-4,6H,5H2
InChIKeyUNPHVPYKGWCWHF-UHFFFAOYSA-N
XLogP1.80
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-1,2,4-oxadiazole
CID 12260139
1,2,4-Oxadiazole, 3-(2-phenylethenyl)-, (E)-
CID 6441446
3-(4-Fluorophenyl)-1,2,4-oxadiazole
CID 19046149
5-Chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 54593390
3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 54772357
3-[(2,4-Difluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 2725956
3-[(2-Chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 22433605
3-((4-Fluorophenyl)methyl)-1,2,4-oxadiazol-5-amine
CID 2795651
(3,4-Difluorophenyl)(1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 71757734
Styryl-1,2,4-oxadiazole
CID 168193
3-(4-Methylphenyl)-1,2,4-oxadiazole
CID 12413115
3-Benzyl-1,2,4-oxadiazole
CID 20068908

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 54362686) is 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1ccc(Cc2ncon2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is UNPHVPYKGWCWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-8-3-1-7(2-4-8)5-9-11-6-13-12-9/h1-4,6H,5H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 178.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54362686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).