Basic information
- CAS
332358-18-6- Standard SMILES
O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc(Cl)c1- InChIKey
HMHHILBDRVDYGQ-UHFFFAOYSA-N- Molecular formula
- C15H11ClN4O2S
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0291245
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
- IUPAC
- N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
Names & synonyms
N-(3-chlorophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide332358-18-6N-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamideBAS 01365710MLS001219226CHEMBL1609228SCHEMBL10016440DTXSID901329250HMS2889P17AKOS000572381N-(3-Chloro-phenyl)-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamideSMR000608416
Show more names
ST50252001F2754-0002N-(3-chlorophenyl)-2-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide
Database identifiers
- CAS
332358-18-6- PubChem CID
- 856145
- DTXSID
DTXSID901329250- ChEMBL
CHEMBL1609228
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Solubility36 [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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