(Z)-2-phenyl-4-((E)-3-phenylallylidene)oxazol-5(4H)-one
Basic information
- CAS
5438-08-4- Standard SMILES
O=C1OC(c2ccccc2)=N/C1=C\C=C\c1ccccc1- InChIKey
AYHSMADDXZUZBX-SBFJKYRKSA-N- Molecular formula
- C18H13NO2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.09462866
Names & identifiers
- Preferred name
- (Z)-2-phenyl-4-((E)-3-phenylallylidene)oxazol-5(4H)-one
- IUPAC
- (4Z)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
- English name
- 5(4H)-Oxazolone, 2-phenyl-4-(3-phenyl-2-propen-1-ylidene)-
- Molecular formula
- C18H13NO2
- Molecular weight
- 275.3
Names & synonyms
(4Z)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one(4Z)-2-phenyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-5(4H)-one(Z)-2-phenyl-4-((E)-3-phenylallylidene)oxazol-5(4H)-oneNSC16594AYHSMADDXZUZBX-SBFJKYRKSA-NHMS1476A11NSC-16594STK749971AKOS001483752IDI1_020033NCGC00173022-014-Cinnamylidene-2-phenyl-5(4H)-oxazolone
Show more names
4-CINNAMYLIDENE-2-PHENYL-2-OXAZOLIN-5-ONE5(4H)-Oxazolone, 2-phenyl-4-(3-phenyl-2-propen-1-ylidene)-
SR-01000108054SR-01000108054-1BRD-K78927310-001-01-9(4Z)-2-Phenyl-4-[(2E)-3-phenyl-2-propenylidene]-1,3-oxazol-5(4H)-one #(4Z)-2-phenyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one
Database identifiers
- CAS
5438-08-4- PubChem CID
- 689987
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 130 · 130-131 °C(Solvent: Ethanol)
- Boiling point
- 427.656 · 427.656±48.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.122 · 1.122±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.395 · -1.395±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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