5-(3,4-Difluorophenyl)-3-(pyrazin-2-yl)isoxazole
Basic information
- Standard SMILES
Fc1ccc(-c2cc(-c3cnccn3)no2)cc1F- InChIKey
AWQMYZJVISXBPN-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-(pyrazin-2-yl)isoxazole
- IUPAC
- 5-(3,4-difluorophenyl)-3-pyrazin-2-yl-1,2-oxazole
Names & synonyms
SCHEMBL4318598AWQMYZJVISXBPN-UHFFFAOYSA-N5-(3,4-Difluorophenyl)-3-(pyrazin-2-yl)isoxazole
Database identifiers
- PubChem CID
- 44545683
Properties
Computed structural properties
- XLogP
- 1.8
- 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
1 records
Compound notes
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