Basic information
- CAS
62681-97-4- Standard SMILES
Fc1cccc(-c2nnc(-c3ccccc3)o2)c1- InChIKey
QDROCLXUUMLOEK-UHFFFAOYSA-N- Molecular formula
- C14H9FN2O
- Average molar mass
- 240.23 g/mol
- Monoisotopic mass
- 240.06989108
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-(3-fluorophenyl)-5-phenyl-1,3,4-oxadiazole
Names & synonyms
2-(3-Fluorophenyl)-5-phenyl-1,3,4-oxadiazole62681-97-4EINECS 263-693-0DTXSID10211741NSC 90363RefChem:84238DTXCID40134232263-693-0NSC-90363NSC9036398A6EQ2RWQQDROCLXUUMLOEK-UHFFFAOYSA-N
Show more names
NS000557891,3,4-Oxadiazole, 2-(3-fluorophenyl)-5-phenyl-
Database identifiers
- CAS
62681-97-4- PubChem CID
- 96843
- DTXSID
DTXSID10211741- UNII
- 98A6EQ2RWQ
- EC Number
- 263-693-0
- Nikkaji
- J307.116B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…