3-(Pyrazin-2-yl)-5-(3,4,5-trifluorophenyl)isoxazole

HCID 44545684
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Basic information

Standard SMILES
Fc1cc(-c2cc(-c3cnccn3)no2)cc(F)c1F
InChIKey
SHICNOJUPVZDCY-UHFFFAOYSA-N
Molecular formula
C13H6F3N3O
Average molar mass
277.2 g/mol

Names & identifiers

Preferred name
3-(Pyrazin-2-yl)-5-(3,4,5-trifluorophenyl)isoxazole
IUPAC
3-pyrazin-2-yl-5-(3,4,5-trifluorophenyl)-1,2-oxazole

Names & synonyms

SCHEMBL4316639SHICNOJUPVZDCY-UHFFFAOYSA-N3-(Pyrazin-2-yl)-5-(3,4,5-trifluorophenyl)isoxazole

Database identifiers

PubChem CID
44545684

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
20

Related reactions

1 records
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Compound notes

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