Basic information
- Standard SMILES
Cc1c(C=C2N=C(c3cccs3)OC2=O)cnn1C- InChIKey
ZXSSHPCUUZMBEZ-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2S
- Average molar mass
- 273.31 g/mol
Names & identifiers
- Preferred name
- 4-((1,5-Dimethyl-1H-pyrazol-4-yl)methylene)-2-(2-thienyl)-5(4H)-oxazolone
- IUPAC
- 4-[(1,5-dimethylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
Names & synonyms
SCHEMBL15512564ZXSSHPCUUZMBEZ-UHFFFAOYSA-N4-((1,5-Dimethyl-1H-pyrazol-4-yl)methylene)-2-(2-thienyl)-5(4H)-oxazolone
Database identifiers
- PubChem CID
- 75238474
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 449
Related reactions
1 records
Compound notes
Loading…