1,2,3-Oxadiazolium, 3-(4-(3-(4-(dimethylamino)phenyl)-1-oxo-2-propenyl)phenyl)-5-hydroxy-
Basic information
- CAS
152168-00-8- Standard SMILES
CN(C)c1ccc(/C=C/C(=O)c2ccc(-[n+]3cc(=O)o[nH]3)cc2)cc1- InChIKey
GLLPHBOCYMYCCG-LFYBBSHMSA-N- Molecular formula
- C19H18N3O3+
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.13481644
Names & identifiers
- Preferred name
- 1,2,3-Oxadiazolium, 3-(4-(3-(4-(dimethylamino)phenyl)-1-oxo-2-propenyl)phenyl)-5-hydroxy-
- IUPAC
- 3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenyl]-2H-oxadiazol-3-ium-5-one
- English name
- 1,2,3-Oxadiazolium, 3-(4-(3-(4-(dimethylamino)phenyl)-1-oxo-2-propenyl )phenyl)-5-hydroxy-
- Molecular weight
- 0
Names & synonyms
152168-00-81,2,3-Oxadiazolium, 3-(4-(3-(4-(dimethylamino)phenyl)-1-oxo-2-propenyl)phenyl)-5-hydroxy-RefChem:10519743-(4-(3-(4-(Dimethylamino)phenyl)-1-oxo-2-propenyl)phenyl)-5-hydroxy-1,2,3-oxadiazolium3-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenyl]-2H-oxadiazol-3-ium-5-one1,2,3-Oxadiazolium, 3-(4-(3-(4-(dimethylamino)phenyl)-1-oxo-2-propenyl )phenyl)-5-hydroxy-
Database identifiers
- CAS
152168-00-8- PubChem CID
- 6448828
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 554
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Compound notes
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