cis-3-(4-Flurophenyl)-3-(1H-imidzol-1-ylmethyl)-2-methyl-5-phenylisoxazolidine

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Basic information

CAS: 113614-58-7
Standard SMILES: CN1O[C@H](c2ccccc2)C[C@@]1(Cn1ccnc1)c1ccc(F)cc1
InChIKey: GXXHTTLQSBUPQA-VQTJNVASSA-N
Molecular formula: C20H20FN3O
Average molar mass: 337.4 g/mol
Monoisotopic mass: 337.15904043

Names & identifiers

Preferred name: cis-3-(4-Flurophenyl)-3-(1H-imidzol-1-ylmethyl)-2-methyl-5-phenylisoxazolidine
IUPAC: (3S,5S)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-phenyl-1,2-oxazolidine

Names & synonyms

cis-3-(4-Flurophenyl)-3-(1H-imidzol-1-ylmethyl)-2-methyl-5-phenylisoxazolidine113614-58-7CHEMBL305539DTXSID20150495(3S,5S)-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-phenyl-isoxazolidine(3S,5S)-3-(4-Fluorophenyl)-3-[(1H-imidazol-1-yl)methyl]-2-methyl-5-phenyl-1,2-oxazolidine

Database identifiers

CAS: 113614-58-7
PubChem CID: 516647
DTXSID: DTXSID20150495
ChEMBL: CHEMBL305539

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 30.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 437

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Compound notes

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