2-(4-Nitrophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
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Basic information
- CAS
331724-04-0- Standard SMILES
O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=Cc1ccc(OCc2ccccc2)cc1- InChIKey
WJBASHPHPKGYEJ-UHFFFAOYSA-N- Molecular formula
- C23H16N2O5
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.10592162
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
- IUPAC
- 2-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
- English name
- 4-[4-(benzyloxy)benzylidene]-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one
- Molecular formula
- C23H16N2O5
- Molecular weight
- 400.38
Names & synonyms
4-[4-(benzyloxy)benzylidene]-2-{4-nitrophenyl}-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
331724-04-0- PubChem CID
- 3109548
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 676
Physicochemical properties
- Boiling point
- 591.444 · 591.444±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.296 · 1.296±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.878 · -0.878±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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