3-(5-Fluoro-2-pyridyl)-5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole

HCID 10290901

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccc(-c2noc(-c3cc(F)cc(Br)c3)n2)nc1
InChIKey: VWETXOYVYZDZBH-UHFFFAOYSA-N
Molecular formula: C13H6BrF2N3O
Average molar mass: 338.11 g/mol
Monoisotopic mass: 336.96623

Names & identifiers

Preferred name: 3-(5-Fluoro-2-pyridyl)-5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole
IUPAC: 5-(3-bromo-5-fluorophenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

Names & synonyms

SCHEMBL4188207VWETXOYVYZDZBH-UHFFFAOYSA-N3-(5-Fluoro-2-pyridyl)-5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole5-(3-bromo-5-fluorophenyl)-3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol

Database identifiers

PubChem CID: 10290901

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 339

Related reactions

6 records

New reaction record

HRID 314653As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 431931As reactantuspto-grants-2003_12

HRID 431981As reactantuspto-grants-2003_12

HRID 2136437As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2216826As reactantuspto-grants-2006_09

HRID 2216873As reactantuspto-grants-2006_09

Compound notes

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