cis-3-(4-Fluorophenyl)-3-(1H-imidazol-1-ylmethyl)-5-phenyl-2-(phenylmethyl)isoxazoline
Basic information
- CAS
115797-09-6- Standard SMILES
Fc1ccc([C@]2(Cn3ccnc3)C[C@@H](c3ccccc3)ON2Cc2ccccc2)cc1- InChIKey
ADMHQVNQRIGPDJ-IZZNHLLZSA-N- Molecular formula
- C26H24FN3O
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.19034056
Names & identifiers
- Preferred name
- cis-3-(4-Fluorophenyl)-3-(1H-imidazol-1-ylmethyl)-5-phenyl-2-(phenylmethyl)isoxazoline
- IUPAC
- (3S,5S)-2-benzyl-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-5-phenyl-1,2-oxazolidine
Names & synonyms
cis-3-(4-Fluorophenyl)-3-(1H-imidazol-1-ylmethyl)-5-phenyl-2-(phenylmethyl)isoxazoline115797-09-6CHEMBL304224DTXSID70151194(3S,5S)-2-benzyl-3-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)-5-phenyl-isoxazolidine(3S,5S)-2-Benzyl-3-(4-fluorophenyl)-3-[(1H-imidazol-1-yl)methyl]-5-phenyl-1,2-oxazolidine
Database identifiers
- CAS
115797-09-6- PubChem CID
- 516649
- DTXSID
DTXSID70151194- ChEMBL
CHEMBL304224
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 557
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Compound notes
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