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Basic information
- Standard SMILES
COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1Cc1ccc(F)cc1F- InChIKey
ODNSTMPSLFCFAT-DGCLKSJQSA-N- Molecular formula
- C17H18F2N2O4
- Average molar mass
- 352.33 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-Methyl 2-(2,4-difluorobenzyl)-4-(3-oxo-2,3-dihydroisoxazol-5-yl)piperidine-1-carboxylate
- IUPAC
- methyl (2S,4R)-2-[(2,4-difluorophenyl)methyl]-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL586721ODNSTMPSLFCFAT-DGCLKSJQSA-N(2S,4R)-Methyl 2-(2,4-difluorobenzyl)-4-(3-oxo-2,3-dihydroisoxazol-5-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 66734591
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 557
Related reactions
2 records
Compound notes
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