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5-(3,4-Difluorophenyl)-3-(pyridin-3-yl)-1,2,4-oxadiazole

HCID 59758752
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(-c2nc(-c3cccnc3)no2)cc1F
InChIKey
MIVVBIWTQKGANC-UHFFFAOYSA-N
Molecular formula
C13H7F2N3O
Average molar mass
259.21 g/mol
Monoisotopic mass
259.05571818

Names & identifiers

Preferred name
5-(3,4-Difluorophenyl)-3-(pyridin-3-yl)-1,2,4-oxadiazole
IUPAC
5-(3,4-difluorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

Names & synonyms

CHEMBL3103999SCHEMBL1423102MIVVBIWTQKGANC-UHFFFAOYSA-NBDBM504456095-(3,4-difluorophenyl)-3-(pyridin-3-yl)-1,2,4-oxadiazole

Database identifiers

PubChem CID
59758752
ChEMBL
CHEMBL3103999

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
308

Related reactions

3 records
New reaction record
HRID 450600 reaction equation
HRID 450600As productuspto-grants-2013_07
HRID 578089 reaction equation
HRID 578089As productuspto-grants-2015_05
HRID 713763 reaction equation
HRID 713763As productuspto-grants-2015_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes