2-(5-Nitro-2-ethoxyphenyl)-5-phenylbenzoxazole
Basic information
- Standard SMILES
CCOc1ccc([N+](=O)[O-])cc1-c1nc2cc(-c3ccccc3)ccc2o1- InChIKey
VNTILUTVQICLDC-UHFFFAOYSA-N- Molecular formula
- C21H16N2O4
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- 2-(5-Nitro-2-ethoxyphenyl)-5-phenylbenzoxazole
- IUPAC
- 2-(2-ethoxy-5-nitrophenyl)-5-phenyl-1,3-benzoxazole
Names & synonyms
SCHEMBL5834507VNTILUTVQICLDC-UHFFFAOYSA-N2-(5-Nitro-2-ethoxyphenyl)-5-phenylbenzoxazole
Database identifiers
- PubChem CID
- 21884572
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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