2-(3-Fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
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Basic information
- CAS
329022-72-2- Standard SMILES
Cc1ccccc1C=C1N=C(c2cccc(F)c2)OC1=O- InChIKey
PQOVKXULXVUTQI-UHFFFAOYSA-N- Molecular formula
- C17H12FNO2
- Average molar mass
- 281.28 g/mol
- Monoisotopic mass
- 281.08520679
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
- IUPAC
- 2-(3-fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5-one
- English name
- 2-(3-fluorophenyl)-4-(2-methylbenzylidene)-1,3-oxazol-5(4H)-one
- Molecular formula
- C17H12FNO2
- Molecular weight
- 281.28
Names & synonyms
2-(3-fluorophenyl)-4-[(2-methylphenyl)methylidene]-1,3-oxazol-5(4H)-one2-(3-fluorophenyl)-4-(2-methylbenzylidene)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
329022-72-2- PubChem CID
- 3109259
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Boiling point
- 400.091 · 400.091±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.216 · 1.216±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.107 · 0.107±0.20(predicted)
Related reactions
0 records
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Compound notes
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