[(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane

C19H33NO2Si — CID 134924654

IUPAC[(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H]1C[C@@](C)(O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C19H33NO2Si/c1-8-17-14-19(5,22-23(6,7)18(2,3)4)21-20(17)15-16-12-10-9-11-13-16/h9-13,17H,8,14-15H2,1-7H3/t17-,19+/m0/s1
InChIKeyKTSLNGMWUDDDPS-PKOBYXMFSA-N
MW335.56 g/mol
LogP5.34
Rot. Bonds5

About [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane

[(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134924654) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134924654
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name[(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H]1C[C@@](C)(O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C19H33NO2Si/c1-8-17-14-19(5,22-23(6,7)18(2,3)4)21-20(17)15-16-12-10-9-11-13-16/h9-13,17H,8,14-15H2,1-7H3/t17-,19+/m0/s1
InChIKeyKTSLNGMWUDDDPS-PKOBYXMFSA-N
XLogP5.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.56
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(3R,5S)-1-benzyl-5-(fluoromethyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010273
[(3R,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 15685050
tert-butyl-dimethyl-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy]silane
CID 15685054
[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134924653
tert-butyl-dimethyl-[[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy]silane
CID 134925486
Tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane
CID 68606891
[(3R,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 10427920
[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 11142256
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
CID 14642545
N-benzyl-2-methyl-N-trimethylsilyloxyhex-5-en-3-amine
CID 14867119
[(3R,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 15685049
N-benzyl-N-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-yn-3-yl]hydroxylamine
CID 101003970

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (CID 134924654) is [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is CC[C@H]1C[C@@](C)(O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1.
What is the InChIKey of [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is KTSLNGMWUDDDPS-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-8-17-14-19(5,22-23(6,7)18(2,3)4)21-20(17)15-16-12-10-9-11-13-16/h9-13,17H,8,14-15H2,1-7H3/t17-,19+/m0/s1.
What are the key properties of [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
[(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 335.56 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-2-benzyl-3-ethyl-5-methyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134924654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).