(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one

C21H27NO3Si — CID 58756451

IUPAC(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)24-16-17-15-22(4)20(23)25-17/h5-14,17H,15-16H2,1-4H3/t17-/m1/s1
InChIKeyRJJMKBVWJATQSV-QGZVFWFLSA-N
MW369.54 g/mol
LogP3.01
Rot. Bonds5

About (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one

(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 58756451) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID58756451
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C21H27NO3Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)24-16-17-15-22(4)20(23)25-17/h5-14,17H,15-16H2,1-4H3/t17-/m1/s1
InChIKeyRJJMKBVWJATQSV-QGZVFWFLSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.01
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

tert-Butyl (2R,4R)-4-((tert-butyldiphenylsilyl)oxy)-2-ethynylpyrrolidine-1-carboxylate
CID 91299586
tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10742825
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethyl)pyrrolidine-1-carboxylate
CID 164780086
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 10808994
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095
tert-butyl (4S)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840091
tert-butyl (4S)-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840127
(4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 134926671
3-[6-[Tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
CID 135023889
tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate
CID 135074712

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one (CID 58756451) is (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one is CN1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC1=O.
What is the InChIKey of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is RJJMKBVWJATQSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-21(2,3)26(18-11-7-5-8-12-18,19-13-9-6-10-14-19)24-16-17-15-22(4)20(23)25-17/h5-14,17H,15-16H2,1-4H3/t17-/m1/s1.
What are the key properties of (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one?
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 369.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58756451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).