Basic information
- Standard SMILES
Cc1nc(Cc2ccc([N+](=O)[O-])cc2)no1- InChIKey
BIBQUOMJIXIKBS-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-3-(4-nitrobenzyl)-1,2,4-oxadiazole
- IUPAC
- 5-methyl-3-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole
Names & synonyms
Maybridge1_004028Oprea1_058102SCHEMBL4836595HMS552P02BIBQUOMJIXIKBS-UHFFFAOYSA-NCCG-2386785-methyl-3-(4-nitrobenzyl)-1,2,4-oxadiazole
Database identifiers
- PubChem CID
- 2809066
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
3 records
Compound notes
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