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

C19H33NO2Si — CID 11142256

IUPAC[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C19H33NO2Si/c1-15(2)17-13-18(22-23(6,7)19(3,4)5)21-20(17)14-16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3/t17-,18+/m0/s1
InChIKeyXJFJYGIWXICITE-ZWKOTPCHSA-N
MW335.56 g/mol
LogP5.20
Rot. Bonds5

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

[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11142256) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is [(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11142256
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C19H33NO2Si/c1-15(2)17-13-18(22-23(6,7)19(3,4)5)21-20(17)14-16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3/t17-,18+/m0/s1
InChIKeyXJFJYGIWXICITE-ZWKOTPCHSA-N
XLogP5.20
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 ≤ 55.20
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,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
carbon monoxide;chromium;[2-[(3S,5R)-5-ethoxy-2-methyl-1,2-oxazolidin-3-yl]phenyl]-trimethylsilane
CID 134899199
[(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
[(3R,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 10427920
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-N-[(1S)-1-phenylethyl]hydroxylamine
CID 14642545
[(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
(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461683
(3R,5S)-2-benzyl-5-ethenyl-3-propan-2-yl-1,2-oxazolidine
CID 134867395
[(3R)-2-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl] acetate
CID 134878951

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (CID 11142256) is [(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is CC(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1.
What is the InChIKey of [(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XJFJYGIWXICITE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-15(2)17-13-18(22-23(6,7)19(3,4)5)21-20(17)14-16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3/t17-,18+/m0/s1.
What are the key properties of [(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
[(3S,5R)-2-benzyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 335.56 g/mol, XLogP of 5.20, 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-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11142256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).