Basic information
- Standard SMILES
CCOC(=O)c1ccc2nc(-c3ccccc3)oc2c1- InChIKey
LXVXETFJVQEWRC-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- Ethyl 2-phenyl-1,3-benzoxazole-6-carboxylate
- IUPAC
- ethyl 2-phenyl-1,3-benzoxazole-6-carboxylate
Names & synonyms
ethyl 2-phenyl-1,3-benzoxazole-6-carboxylateSCHEMBL3083994LXVXETFJVQEWRC-UHFFFAOYSA-NAKOS005764484DB-157501Ethyl 2-phenylbenzo[d]oxazole-6-carboxylateethyl 2-phenyl-1, 3-benzoxazole-6-carboxylate1094201-00-9
Database identifiers
- PubChem CID
- 54859240
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
1 records
Compound notes
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