[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Basic information
- CAS
438609-75-7- Standard SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N1C(C)CCCC1C- InChIKey
ILEYOVVZWSNYBD-UHFFFAOYSA-N- Molecular formula
- C20H22ClFN2O4
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.125213
Names & identifiers
- Preferred name
- [2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
- IUPAC
- [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Names & synonyms
Oprea1_363314[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylateMLS002248619CHEMBL1704841DTXSID801322582HMS3082C04AKOS034830651438609-75-7SMR001316079Z188208442-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Database identifiers
- CAS
438609-75-7- PubChem CID
- 4455955
- DTXSID
DTXSID801322582- ChEMBL
CHEMBL1704841
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 570
Experimental & physicochemical properties
Solubility41.7 [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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