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

C18H31NO2Si — CID 134924653

IUPAC[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C18H31NO2Si/c1-7-16-13-17(21-22(5,6)18(2,3)4)20-19(16)14-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17+/m0/s1
InChIKeyKFILPRYUFMNTTF-DLBZAZTESA-N
MW321.54 g/mol
LogP4.95
Rot. Bonds5

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

[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134924653) has the molecular formula C18H31NO2Si and a molecular weight of 321.54 g/mol. Its IUPAC name is [(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134924653
Molecular FormulaC18H31NO2Si
Molecular Weight321.54 g/mol
Exact Mass321.21
IUPAC Name[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1
InChIInChI=1S/C18H31NO2Si/c1-7-16-13-17(21-22(5,6)18(2,3)4)20-19(16)14-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17+/m0/s1
InChIKeyKFILPRYUFMNTTF-DLBZAZTESA-N
XLogP4.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.54
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (CID 134924653) is [(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)ON1Cc1ccccc1.
What is the InChIKey of [(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is KFILPRYUFMNTTF-DLBZAZTESA-N. The full InChI is InChI=1S/C18H31NO2Si/c1-7-16-13-17(21-22(5,6)18(2,3)4)20-19(16)14-15-11-9-8-10-12-15/h8-12,16-17H,7,13-14H2,1-6H3/t16-,17+/m0/s1.
What are the key properties of [(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
[(3S,5R)-2-benzyl-3-ethyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 321.54 g/mol, XLogP of 4.95, 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-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134924653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).