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

C20H35NO2Si — CID 134924167

IUPAC[(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C20H35NO2Si/c1-19(2,3)17-14-18(23-24(7,8)20(4,5)6)22-21(17)15-16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1
InChIKeyASJSTDACFHAYCV-ZWKOTPCHSA-N
MW349.59 g/mol
LogP5.59
Rot. Bonds4

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

[(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134924167) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is [(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134924167
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Name[(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C20H35NO2Si/c1-19(2,3)17-14-18(23-24(7,8)20(4,5)6)22-21(17)15-16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1
InChIKeyASJSTDACFHAYCV-ZWKOTPCHSA-N
XLogP5.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 55.59
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
[(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
[(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-2,2-dimethylhex-4-yn-3-yl]hydroxylamine
CID 102461678
(2-benzyl-3-tert-butyl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461684
[(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-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (CID 134924167) is [(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is CC(C)(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-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ASJSTDACFHAYCV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-19(2,3)17-14-18(23-24(7,8)20(4,5)6)22-21(17)15-16-12-10-9-11-13-16/h9-13,17-18H,14-15H2,1-8H3/t17-,18+/m0/s1.
What are the key properties of [(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
[(3S,5R)-2-benzyl-3-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 349.59 g/mol, XLogP of 5.59, 4 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-tert-butyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134924167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).