Basic information
- Standard SMILES
CC(C)(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1- InChIKey
SMDQEOHSYUGVGR-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3
- Average molar mass
- 261.28 g/mol
Names & identifiers
- Preferred name
- 2-Neopentyl-5-(4-nitrophenyl)-1,3,4-oxadiazole
- IUPAC
- 2-(2,2-dimethylpropyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
Names & synonyms
SCHEMBL15376978SMDQEOHSYUGVGR-UHFFFAOYSA-N2-neopentyl-5-(4-nitrophenyl)-1,3,4-oxadiazole
Database identifiers
- PubChem CID
- 86702015
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Related reactions
3 records
Compound notes
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