3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-phenylisoxazolidine
Basic information
- CAS
113614-48-5- Standard SMILES
CN1O[C@H](c2ccccc2)C[C@@]1(Cn1ccnc1)c1ccc(Cl)cc1- InChIKey
BBNVZZVNBCNJEY-VQTJNVASSA-N- Molecular formula
- C20H20ClN3O
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.12949
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-phenylisoxazolidine
- IUPAC
- (3S,5S)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-phenyl-1,2-oxazolidine
Names & synonyms
3-(4-Chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methyl-5-phenylisoxazolidine113614-48-5CHEMBL59842BBNVZZVNBCNJEY-VQTJNVASSA-DTXSID40150492(3S,5S)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-phenyl-isoxazolidine(3S,5S)-3-(4-Chlorophenyl)-3-[(1H-imidazol-1-yl)methyl]-2-methyl-5-phenyl-1,2-oxazolidineInChI=1/C20H20ClN3O/c1-23-20(14-24-12-11-22-15-24,17-7-9-18(21)10-8-17)13-19(25-23)16-5-3-2-4-6-16/h2-12,15,19H,13-14H2,1H3/t19-,20+/m0/s1
Database identifiers
- CAS
113614-48-5- PubChem CID
- 516642
- DTXSID
DTXSID40150492- ChEMBL
CHEMBL59842
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
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Related reactions
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Compound notes
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