4-(1,3-Benzodioxol-5-ylmethylidene)-2-(4-butoxyphenyl)-1,3-oxazol-5-one
Basic information
- CAS
5630-73-9- Standard SMILES
CCCCOc1ccc(C2=NC(=Cc3ccc4c(c3)OCO4)C(=O)O2)cc1- InChIKey
LRRJZLBHTYPFPG-UHFFFAOYSA-N- Molecular formula
- C21H19NO5
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.12632271
Names & identifiers
- Preferred name
- 4-(1,3-Benzodioxol-5-ylmethylidene)-2-(4-butoxyphenyl)-1,3-oxazol-5-one
- IUPAC
- 4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-butoxyphenyl)-1,3-oxazol-5-one
Names & synonyms
5630-73-94-[(2H-1,3-Benzodioxol-5-yl)methylidene]-2-(4-butoxyphenyl)-1,3-oxazol-5(4H)-oneAC1NPTQVDTXSID30410158
Database identifiers
- CAS
5630-73-9- PubChem CID
- 5209948
- DTXSID
DTXSID30410158
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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