Basic information
- Standard SMILES
COc1cc(-c2nc(C)no2)cc([N+](=O)[O-])c1OC- InChIKey
IMUGBEVDBJKRMR-UHFFFAOYSA-N- Molecular formula
- C11H11N3O5
- Average molar mass
- 265.22 g/mol
- Monoisotopic mass
- 265.06987046
Names & identifiers
- Preferred name
- 5-(3,4-Dimethoxy-5-nitrophenyl)-3-methyl-1,2,4-oxadiazole
- IUPAC
- 5-(3,4-dimethoxy-5-nitrophenyl)-3-methyl-1,2,4-oxadiazole
Names & synonyms
SCHEMBL7371659IMUGBEVDBJKRMR-UHFFFAOYSA-N5-(3,4-dimethoxy-5-nitrophenyl)-3-methyl-1,2,4-oxadiazole
Database identifiers
- PubChem CID
- 21459080
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
10 records
Linked notes
Loading…