Basic information
- Standard SMILES
N#Cc1ccc(-c2cc(-c3cnccn3)no2)cc1- InChIKey
XTUTVMWZNZHPJY-UHFFFAOYSA-N- Molecular formula
- C14H8N4O
- Average molar mass
- 248.24 g/mol
Names & identifiers
- Preferred name
- 4-(3-(Pyrazin-2-yl)isoxazol-5-yl)benzonitrile
- IUPAC
- 4-(3-pyrazin-2-yl-1,2-oxazol-5-yl)benzonitrile
Names & synonyms
SCHEMBL4315843XTUTVMWZNZHPJY-UHFFFAOYSA-N4-(3-(Pyrazin-2-yl)isoxazol-5-yl)benzonitrile
Database identifiers
- PubChem CID
- 44545613
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
1 records
Compound notes
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