Basic information
- CAS
299440-53-2- Standard SMILES
COc1ccc(C=C2N=C(c3ccccc3I)OC2=O)cc1OC- InChIKey
KPCVSSVRAMWPAX-UHFFFAOYSA-N- Molecular formula
- C18H14INO4
- Average molar mass
- 435.2 g/mol
- Monoisotopic mass
- 434.99676
Names & identifiers
- Preferred name
- 4-(3,4-Dimethoxy-benzylidene)-2-(2-iodo-phenyl)-4H-oxazol-5-one
- IUPAC
- 4-[(3,4-dimethoxyphenyl)methylidene]-2-(2-iodophenyl)-1,3-oxazol-5-one
Names & synonyms
4-[(3,4-Dimethoxyphenyl)methylidene]-2-(2-iodophenyl)-1,3-oxazol-5(4H)-oneSCHEMBL6794709KPCVSSVRAMWPAX-UHFFFAOYSA-NDTXSID4011617764-(3,4-Dimethoxy-benzylidene)-2-(2-iodo-phenyl)-4H-oxazol-5-one299440-53-24-[(3,4-Dimethoxyphenyl)methylene]-2-(2-iodophenyl)-5(4H)-oxazolone
Database identifiers
- CAS
299440-53-2- PubChem CID
- 2878124
- DTXSID
DTXSID401161776
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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