Basic information
- CAS
93920-46-8- Standard SMILES
O=C1OC(c2ccccc2)=N/C1=C/C=C/c1ccccc1- InChIKey
AYHSMADDXZUZBX-NJKRNUQASA-N- Molecular formula
- C18H13NO2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.09462866
Overview
structure given in first source; RN refers to (E,E)-isomer
Names & identifiers
- Preferred name
- 2-Phenyl-(4-cinnamylidene)oxazolin-5-one
- IUPAC
- (4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
- English name
- 2-phenyl-(4-cinnamylidene)oxazolin-5-one
- Molecular formula
- C18H13NO2
- Molecular weight
- 275.3
Names & synonyms
E-PCO93920-46-82-Phenyl-(4-cinnamylidene)oxazolin-5-oneRefChem:890225438-08-4(4E)-2-phenyl-4-[(2E)-3-phenyl-2-propenylidene]-1,3-oxazol-5(4H)-one(4E)-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one2-phenyl-4-(3-phenylprop-2-enylidene)-4,5-dihydro-1,3-oxazol-5-one2-Phenyl-4-(3-phenylallylidene)oxazol-5(4H)-oneCCG-45640AKOS0005608072-Phenyl-(E)-(4-(E)-cinnamylidene)oxazolin-5-one
Show more names
2-PHENYL-4-(3-PHENYL-2-PROPENYLIDENE)-1,3-OXAZOL-5(4H)-ONE
2-Phenyl-(Z)-(4-(E)-cinnamylidene)oxazolin-5-oneSR-01000635394-1
Database identifiers
- CAS
93920-46-8- PubChem CID
- 689986
- Nikkaji
- J1.721.249D、J1.990.952B
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
- 105 °C · 105 °C
- 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
- 1.132 · 1.132±0.20(predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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