4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
Basic information
- CAS
872613-91-7- Standard SMILES
CC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)CC1- InChIKey
NYUCMFKTZQMFJZ-UHFFFAOYSA-N- Molecular formula
- C18H21FN4O3S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.13183988
Names & identifiers
- Preferred name
- 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
- IUPAC
- 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
Names & synonyms
872613-91-74-Fluoro-N-[[5-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]benzamide4-fluoro-N-[(5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]benzamideMLS001167212CHEMBL1887663DTXSID901115011HMS2980L13AKOS0246176604-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamideSMR000807125SR-01000018643SR-01000018643-1
Show more names
F1885-03294-fluoro-N-((5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)benzamideBenzamide, 4-fluoro-N-[[5-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-
Database identifiers
- CAS
872613-91-7- PubChem CID
- 7205262
- DTXSID
DTXSID901115011- ChEMBL
CHEMBL1887663
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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