N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
Basic information
- CAS
852957-62-1- Standard SMILES
CC(=O)Nc1ccc(SCc2ncc(-c3ccccc3)o2)cc1- InChIKey
DYBUCUJMJZSHFV-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.09324893
Names & identifiers
- Preferred name
- N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
- IUPAC
- N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamide
Names & synonyms
N-[4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]phenyl]acetamideMLS001173091CHEMBL1383996DTXSID901320741HMS1720H03HMS2890H23AKOS001064153852957-62-1SMR000594905Z25066070N-(4-{[(5-phenyl-1,3-oxazol-2-yl)methyl]sulfanyl}phenyl)acetamide
Database identifiers
- CAS
852957-62-1- PubChem CID
- 4789558
- DTXSID
DTXSID901320741- ChEMBL
CHEMBL1383996
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 379
Experimental & physicochemical properties
Solubility45.3 [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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