Basic information
- Standard SMILES
CCCNc1ccc([N+](=O)[O-])cc1-c1nc2c(C)cccc2o1- InChIKey
XNRBYMWFBXTMAV-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3
- Average molar mass
- 311.33 g/mol
Names & identifiers
- Preferred name
- 2-(3-Nitro-6-propylaminophenyl)-4-methylbenzoxazole
- IUPAC
- 2-(4-methyl-1,3-benzoxazol-2-yl)-4-nitro-N-propylaniline
Names & synonyms
SCHEMBL5834475XNRBYMWFBXTMAV-UHFFFAOYSA-N2-(3-Nitro-6-propylaminophenyl)-4-methylbenzoxazole
Database identifiers
- PubChem CID
- 21884329
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
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