3,5-Diphenyl-3-(1H-imidazl-1-ylmethyl)-2-methylisoxazolidine
Basic information
- CAS
113614-46-3- Standard SMILES
CN1O[C@H](c2ccccc2)C[C@@]1(Cn1ccnc1)c1ccccc1- InChIKey
ZLCZSNKZIIEUBS-VQTJNVASSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.1684623
Names & identifiers
- Preferred name
- 3,5-Diphenyl-3-(1H-imidazl-1-ylmethyl)-2-methylisoxazolidine
- IUPAC
- (3S,5S)-3-(imidazol-1-ylmethyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
Names & synonyms
3,5-Diphenyl-3-(1H-imidazl-1-ylmethyl)-2-methylisoxazolidine113614-46-3CHEMBL61769DTXSID80150491(3S,5S)-3-(imidazol-1-ylmethyl)-2-methyl-3,5-diphenyl-isoxazolidine(3S,5S)-3-[(1H-Imidazol-1-yl)methyl]-2-methyl-3,5-diphenyl-1,2-oxazolidine
Database identifiers
- CAS
113614-46-3- PubChem CID
- 516641
- DTXSID
DTXSID80150491- ChEMBL
CHEMBL61769
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
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Compound notes
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