Basic information
- Standard SMILES
COC(=O)Cc1ccc2nc(-c3cccc4ccccc34)oc2c1- InChIKey
WBKDVVRUZLNDES-UHFFFAOYSA-N- Molecular formula
- C20H15NO3
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.10519334
Names & identifiers
- Preferred name
- Methyl (2-(1-naphthyl)-6-benzoxazolyl)acetate
- IUPAC
- methyl 2-(2-naphthalen-1-yl-1,3-benzoxazol-6-yl)acetate
Names & synonyms
SCHEMBL14592383WBKDVVRUZLNDES-UHFFFAOYSA-Nmethyl (2-(1-naphthyl)-6-benzoxazolyl)acetate
Database identifiers
- PubChem CID
- 58778440
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Related reactions
3 records
Compound notes
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