Basic information
- CAS
6945-17-1- Standard SMILES
CC(=O)Nc1on[n+](-c2ccccc2)c1-c1ccccc1- InChIKey
JWEVPSZRDCOCLP-UHFFFAOYSA-O- Molecular formula
- C16H14N3O2+
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.1086017
Names & identifiers
- Preferred name
- 5-Acetamido-3,4-diphenyl-1,2,3-oxadiazol-3-ium
- IUPAC
- N-(3,4-diphenyloxadiazol-3-ium-5-yl)acetamide
Names & synonyms
NSC594106945-17-1NCIOpen2_0022755-Acetamido-3,4-diphenyl-1,2,3-oxadiazol-3-iumDTXSID50328847NSC-59410
Database identifiers
- CAS
6945-17-1- PubChem CID
- 414477
- DTXSID
DTXSID50328847
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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