Basic information
- CAS
1580-50-3- Standard SMILES
Fc1ccc(-c2nnc(-c3ccccc3)o2)cc1- InChIKey
QHKMUJVIGDJRLU-UHFFFAOYSA-N- Molecular formula
- C14H9FN2O
- Average molar mass
- 240.23 g/mol
- Monoisotopic mass
- 240.06989108
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazole
- English name
- 2-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazole
- Molecular formula
- C14H9FN2O
- Molecular weight
- 240.23
Names & synonyms
2-(4-Fluorophenyl)-5-phenyl-1,3,4-oxadiazole1580-50-3NSC-90364NSC90364EINECS 216-425-1RYU3E23ZLP2-phenyl-5-(4-fluorophenyl)-1,3,4-oxadiazoleCHEMBL4763265SCHEMBL29210254DTXSID50166342QHKMUJVIGDJRLU-UHFFFAOYSA-NNSC 90364
Show more names
NV1191CCG-129142NV-1191NS000486821,3,4-Oxadiazole, 2-(4-fluorophenyl)-5-phenyl-
Database identifiers
- CAS
1580-50-3- PubChem CID
- 74100
- DTXSID
DTXSID50166342- ChEMBL
CHEMBL4763265- UNII
- RYU3E23ZLP
- EC Number
- 216-425-1
- Nikkaji
- J206.819B
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
- 263
Physicochemical properties
- Melting point
- 147 °C · 147 °C
- Boiling point
- 374.2 · 374.2±44.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- -5.28 · -5.28±0.37(Predicted)
Chemistry & industry
Suppliers2 total
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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