Basic information
- Standard SMILES
c1ccc2c(Cn3ccnc3)noc2c1- InChIKey
NLAWCICLTXQEMC-UHFFFAOYSA-N- Molecular formula
- C11H9N3O
- Average molar mass
- 199.21 g/mol
Names & identifiers
- Preferred name
- 3-[(1H-imidazol-1-yl)methyl]-1,2-benzisoxazole
- IUPAC
- 3-(imidazol-1-ylmethyl)-1,2-benzoxazole
Names & synonyms
SCHEMBL9688353NLAWCICLTXQEMC-UHFFFAOYSA-N3-[(1H-imidazol-1-yl)methyl]-1,2-benzisoxazole
Database identifiers
- PubChem CID
- 14575002
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Related reactions
3 records
Compound notes
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