5-Ethynyl-3,4-diphenyl-4,5-dihydro-1,2,4-oxadiazole
Basic information
- CAS
89095-47-6- Standard SMILES
C#CC1ON=C(c2ccccc2)N1c1ccccc1- InChIKey
VFAGNIZNXFYWIO-UHFFFAOYSA-N- Molecular formula
- C16H12N2O
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.09496301
Names & identifiers
- Preferred name
- 5-Ethynyl-3,4-diphenyl-4,5-dihydro-1,2,4-oxadiazole
- IUPAC
- 5-ethynyl-3,4-diphenyl-5H-1,2,4-oxadiazole
Names & synonyms
89095-47-6DTXSID407517465-Ethynyl-3,4-diphenyl-4,5-dihydro-1,2,4-oxadiazole
Database identifiers
- CAS
89095-47-6- PubChem CID
- 71322016
- DTXSID
DTXSID40751746
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…