Basic information
- CAS
113614-57-6- Standard SMILES
Cc1ccc([C@H]2C[C@@](Cn3ccnc3)(c3ccc(Cl)cc3)N(C)O2)cc1- InChIKey
PVSGWGTXWGYMKX-NHCUHLMSSA-N- Molecular formula
- C21H22ClN3O
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.14514
Names & identifiers
- Preferred name
- 3-(4-Chloro-phenyl)-3-imidazol-1-ylmethyl-2-methyl-5-p-tolyl-isoxazolidine
- IUPAC
- (3S,5R)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
Names & synonyms
3-(4-Chloro-phenyl)-3-imidazol-1-ylmethyl-2-methyl-5-p-tolyl-isoxazolidine113614-57-6CHEMBL299053DTXSID60150494(3S,5R)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-(p-tolyl)isoxazolidine(3S,5R)-3-(4-Chlorophenyl)-3-[(1H-imidazol-1-yl)methyl]-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
Database identifiers
- CAS
113614-57-6- PubChem CID
- 516650
- DTXSID
DTXSID60150494- ChEMBL
CHEMBL299053
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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