Basic information
- Standard SMILES
Cc1noc(COc2ccc([N+](=O)[O-])cc2)n1- InChIKey
QSMBNSHSRDWTMA-UHFFFAOYSA-N- Molecular formula
- C10H9N3O4
- Average molar mass
- 235.2 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-5-(4-nitrophenoxymethyl)-1,2,4-oxadiazole
- IUPAC
- 3-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
Names & synonyms
SCHEMBL653398QSMBNSHSRDWTMA-UHFFFAOYSA-N3-Methyl-5-(4-nitrophenoxymethyl)-1,2,4-oxadiazole5-(4-nitrophenoxymethyl)-3-methyl-1,2,4-oxadiazole5-[(4-nitrophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
Database identifiers
- PubChem CID
- 22060445
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
52 records
Compound notes
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