4-((2-Fluorophenyl)methylene)-2-phenyloxazol-5(4H)-one
Basic information
- CAS
397-60-4- Standard SMILES
O=C1OC(c2ccccc2)=NC1=Cc1ccccc1F- InChIKey
KWHLRZLVGDQLNC-UHFFFAOYSA-N- Molecular formula
- C16H10FNO2
- Average molar mass
- 267.25 g/mol
- Monoisotopic mass
- 267.06955672
Names & identifiers
- Preferred name
- 4-((2-Fluorophenyl)methylene)-2-phenyloxazol-5(4H)-one
- IUPAC
- 4-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
- English name
- 4-[(2-fluorophenyl)methylene]-2-phenyloxazol-5(4H)-one
- Molecular formula
- C16H10FNO2
- Molecular weight
- 267.25
Names & synonyms
4-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one397-60-44-((2-Fluorophenyl)methylene)-2-phenyloxazol-5(4H)-one4-[(2-Fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5(4H)-oneNSC74501EINECS 206-906-4NSC 74501NCIOpen2_004012KWHLRZLVGDQLNC-UHFFFAOYSA-NDTXSID701210326NS000431384-[(2-fluorophenyl)methylene]-2-phenyl-oxazol-5-one
Show more names
4-(2-fluorobenzylidene)-2-phenyl-oxazol-5-one(E)-4-(2-fluorobenzylidene)-2-phenyloxazol-5(4H)-one4-[(2-Fluorophenyl)methylene]-2-phenyl-5(4H)-oxazolone4-[(2-fluorophenyl)methylene]-2-phenyloxazol-5(4H)-one(4E)-4-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
5(4H)-Oxazolone, 4-[(2-fluorophenyl)methylene]-2-phenyl-
Database identifiers
- CAS
397-60-4- PubChem CID
- 73510
- DTXSID
DTXSID701210326- EC Number
- 206-906-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Melting point
- 165.5 · 165.5-166.5 °C
- Boiling point
- 385.6 · 385.6±52.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -0.39 · -0.39±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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