Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1C#Cc1nccn1C- InChIKey
KDRRQQQKOCSTDI-UHFFFAOYSA-N- Molecular formula
- C16H13N3O
- Average molar mass
- 263.29 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-4-(1-methyl-1H-imidazol-2-ylethynyl)-3-phenyl-isoxazole
- IUPAC
- 5-methyl-4-[2-(1-methylimidazol-2-yl)ethynyl]-3-phenyl-1,2-oxazole
Names & synonyms
SCHEMBL3951095KDRRQQQKOCSTDI-UHFFFAOYSA-N5-Methyl-4-(1-methyl-1H-imidazol-2-ylethynyl)-3-phenyl-isoxazole
Database identifiers
- PubChem CID
- 24784182
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Related reactions
1 records
Compound notes
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