Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3)n2)cc1- InChIKey
YPBQULUMQROUSN-UHFFFAOYSA-N- Molecular formula
- C14H9N3O3
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.06439116
Names & identifiers
- Preferred name
- 3-(4-Nitrophenyl)-5-phenyl-1,2,4-oxadiazole
- IUPAC
- 3-(4-nitrophenyl)-5-phenyl-1,2,4-oxadiazole
Names & synonyms
3-(4-Nitrophenyl)-5-phenyl-1,2,4-oxadiazole1,2,4-Oxadiazole, 3-(4-nitrophenyl)-5-phenyl-SCHEMBL11715801STK117899AKOS000560115CCG-311233ST500200215-Phenyl-3-(4-nitrophenyl)-1,2,4-oxadiazole3-(4-Nitrophenyl)-5-phenyl-1,2,4-oxadiazole #
Database identifiers
- PubChem CID
- 622484
- Nikkaji
- J529.995K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
3 records
Compound notes
Loading…