Basic information
- CAS
850936-72-0- Standard SMILES
Cc1cccc(-c2nnc(SCC(=O)N3CCOCC3)o2)c1- InChIKey
QIELAXHMCLKKCK-UHFFFAOYSA-N- Molecular formula
- C15H17N3O3S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.09906259
Names & identifiers
- Preferred name
- 2-[[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
- IUPAC
- 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
Names & synonyms
850936-72-02-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone1-morpholino-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanoneMLS000950470CHEMBL1301502DTXSID901329236HMS2909C15AKOS001783820SMR000621944SR-01000124567SR-01000124567-1
Show more names
F0594-0057
Database identifiers
- CAS
850936-72-0- PubChem CID
- 2155692
- DTXSID
DTXSID901329236- ChEMBL
CHEMBL1301502
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
Solubility9.3 [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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