Basic information
- Standard SMILES
CCOC(=O)Cc1ccc2nc(Nc3ccccc3Br)oc2c1- InChIKey
QWQMIDDKCGVILM-UHFFFAOYSA-N- Molecular formula
- C17H15BrN2O3
- Average molar mass
- 375.2 g/mol
- Monoisotopic mass
- 374.0266
Names & identifiers
- Preferred name
- Ethyl 2-(2-bromophenylamino)-6-benzoxazolylacetate
- IUPAC
- ethyl 2-[2-(2-bromoanilino)-1,3-benzoxazol-6-yl]acetate
Names & synonyms
SCHEMBL2432871QWQMIDDKCGVILM-UHFFFAOYSA-Nethyl 2-(2-bromophenylamino)-6-benzoxazolylacetate
Database identifiers
- PubChem CID
- 58779103
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Related reactions
2 records
Compound notes
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