Basic information
- CAS
153390-65-9- Standard SMILES
COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC- InChIKey
UEZHWVANBSLPDF-UVTDQMKNSA-N- Molecular formula
- C18H15NO4
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.10010796
Names & identifiers
- Preferred name
- (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
- IUPAC
- (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
Names & synonyms
(4Z)-4-(3,4-dimethoxybenzylidene)-3-phenyl-1,2-oxazol-5(4H)-one(Z)-4-(3,4-dimethoxybenzylidene)-3-phenylisoxazol-5(4H)-one(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one153390-65-9MLS001181246CHEMBL1558051DTXSID101325880HMS2826P06STK144927AKOS005153720SMR000502405(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5(4H)-one
Database identifiers
- CAS
153390-65-9- PubChem CID
- 809304
- DTXSID
DTXSID101325880- ChEMBL
CHEMBL1558051- Nikkaji
- J3.767.068E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Experimental & physicochemical properties
Solubility45.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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