Basic information
- Standard SMILES
CC(C)(C)CNc1ccc(-c2nc3ccccc3o2)cc1[N+](=O)[O-]- InChIKey
CBUBBVMXENLDQH-UHFFFAOYSA-N- Molecular formula
- C18H19N3O3
- Average molar mass
- 325.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Neopentylamino-3-nitrophenyl)benzoxazole
- IUPAC
- 4-(1,3-benzoxazol-2-yl)-N-(2,2-dimethylpropyl)-2-nitroaniline
Names & synonyms
SCHEMBL2689004CBUBBVMXENLDQH-UHFFFAOYSA-N2-(4-neopentylamino-3-nitrophenyl)benzoxazole
Database identifiers
- PubChem CID
- 67499014
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Related reactions
2 records
Compound notes
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