Basic information
- CAS
565439-67-0- Standard SMILES
CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1- InChIKey
ADJMEULNUKDYSL-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.09324893
Names & identifiers
- Preferred name
- 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
- IUPAC
- 2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
Names & synonyms
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamideMLS000770456CHEMBL1498683SCHEMBL31582161DTXSID101329101HMS2677M06AKOS016991190565439-67-0SMR000343755Z16024354
Database identifiers
- CAS
565439-67-0- PubChem CID
- 2409321
- DTXSID
DTXSID101329101- ChEMBL
CHEMBL1498683
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
Solubility3.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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