4-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-one
Basic information
- CAS
1564-28-9- Standard SMILES
CCN(CC)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1- InChIKey
LEKFXVWEOQBFIN-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.15247789
Names & identifiers
- Preferred name
- 4-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-one
- IUPAC
- (4E)-4-[[4-(diethylamino)phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
- English name
- 4-[4-(diethylamino)benzylidene]-2-phenyl-1,3-oxazol-5(4H)-one
- Molecular formula
- C20H20N2O2
- Molecular weight
- 320.39
Names & synonyms
CHEMBL558464SCHEMBL67902494-(4-Diethylamino-benzylidene)-2-phenyl-4H-oxazol-5-oneBDBM50297544AKOS0005161144-(4-(diethylamino)benzylidene)-2-phenyloxazol-5(4H)-one4-[4-(diethylamino)benzylidene]-2-phenyl-1,3-oxazol-5(4H)-one5(4H)-Oxazolone, 4-[[4-(diethylamino)phenyl]methylene]-2-phenyl-
Database identifiers
- CAS
1564-28-9- PubChem CID
- 708358
- ChEMBL
CHEMBL558464- EC Number
- 158-741-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 473.7 · 473.7±55.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 3.57 · 3.57±0.32(Predicted)
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Compound notes
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