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

C23H33NO2Si — CID 134925035

IUPAC[(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@]1(C)C[C@@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C23H33NO2Si/c1-22(2,3)27(5,6)26-23(4)17-21(20-15-11-8-12-16-20)24(25-23)18-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3/t21-,23+/m0/s1
InChIKeyCYHBNLKKXOJFIT-JTHBVZDNSA-N
MW383.61 g/mol
LogP6.30
Rot. Bonds5

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

[(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134925035) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is [(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134925035
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Name[(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@]1(C)C[C@@H](c2ccccc2)N(Cc2ccccc2)O1
InChIInChI=1S/C23H33NO2Si/c1-22(2,3)27(5,6)26-23(4)17-21(20-15-11-8-12-16-20)24(25-23)18-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3/t21-,23+/m0/s1
InChIKeyCYHBNLKKXOJFIT-JTHBVZDNSA-N
XLogP6.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 56.30
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

(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
N-benzyl-1-phenyl-N-trimethylsilyloxybut-3-en-1-amine
CID 14867116
[(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,4S)-3-phenyl-4-phenylselanyl-2-propan-2-yl-1,2-oxazolidine
CID 15758443
(3S,4S)-2-heptan-4-yl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 15758445
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316
[(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

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane (CID 134925035) is [(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@]1(C)C[C@@H](c2ccccc2)N(Cc2ccccc2)O1.
What is the InChIKey of [(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CYHBNLKKXOJFIT-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-22(2,3)27(5,6)26-23(4)17-21(20-15-11-8-12-16-20)24(25-23)18-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3/t21-,23+/m0/s1.
What are the key properties of [(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane?
[(3S,5R)-2-benzyl-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 383.61 g/mol, XLogP of 6.30, 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-5-methyl-3-phenyl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).