Basic information
- Standard SMILES
CCCNc1ccc([N+](=O)[O-])cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1- InChIKey
OOCSCEHOMMTWMD-UHFFFAOYSA-N- Molecular formula
- C22H18ClN3O3
- Average molar mass
- 407.8 g/mol
- Monoisotopic mass
- 407.1036691
Names & identifiers
- Preferred name
- 2-(3-Nitro-6-propylaminophenyl)-5-(4-chlorophenyl)benzoxazole
- IUPAC
- 2-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]-4-nitro-N-propylaniline
Names & synonyms
SCHEMBL5834594OOCSCEHOMMTWMD-UHFFFAOYSA-N2-(3-Nitro-6-propylaminophenyl)-5-(4-chlorophenyl)benzoxazole
Database identifiers
- PubChem CID
- 21884340
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 552
Related reactions
4 records
Compound notes
Loading…