Basic information
- CAS
130781-76-9- Standard SMILES
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1- InChIKey
RENJXQGRPSWSBE-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.0884979
Names & identifiers
- Preferred name
- 2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide
- IUPAC
- 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-phenylacetamide
Names & synonyms
130781-76-92-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamideNSC6547972-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-phenylacetamide2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-phenyl-acetamideMLS000689102CHEMBL1450324DTXSID501329189HMS2715K21STK105062AKOS000368159NSC-654797
Show more names
NCI60_018943SMR000283138ST50245887N-phenyl-2-[5-benzyl(1,3,4-oxadiazol-2-ylthio)]acetamide2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-phenyl-acetamide
Database identifiers
- CAS
130781-76-9- PubChem CID
- 375280
- DTXSID
DTXSID501329189- ChEMBL
CHEMBL1450324- Nikkaji
- J351.631H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility4.9 [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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