(4E)-4-[(3-Fluorophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
Basic information
- CAS
1321830-00-5- Standard SMILES
Cc1c(C2=N/C(=C/c3cccc(F)c3)C(=O)O2)cccc1[N+](=O)[O-]- InChIKey
UPNGMYIEXXWCSN-NTEUORMPSA-N- Molecular formula
- C17H11FN2O4
- Average molar mass
- 326.28 g/mol
- Monoisotopic mass
- 326.070285
Names & identifiers
- Preferred name
- (4E)-4-[(3-Fluorophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-4,5-dihydro-1,3-oxazol-5-one
- IUPAC
- (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
Names & synonyms
AKOS001572159SR-01000552906SR-01000552906-1
Database identifiers
- CAS
1321830-00-5- PubChem CID
- 6525829
- DTXSID
DTXSID001133589
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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