(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one

C21H27NO3Si — CID 23651169

IUPAC(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](OC[C@]1(C)COC(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-20(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-21(4)15-24-19(23)22-21/h5-14H,15-16H2,1-4H3,(H,22,23)/t21-/m0/s1
InChIKeyYQMZSYUYACOQGK-NRFANRHFSA-N
MW369.54 g/mol
LogP3.06
Rot. Bonds5

About (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one

(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 23651169) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID23651169
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](OC[C@]1(C)COC(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-20(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-21(4)15-24-19(23)22-21/h5-14H,15-16H2,1-4H3,(H,22,23)/t21-/m0/s1
InChIKeyYQMZSYUYACOQGK-NRFANRHFSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane
CID 141485645
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 140892968
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
methyl (2Z)-2-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyloxolan-2-ylidene]propanoate
CID 101152428
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2,2-dioxooxathiazinan-5-ol
CID 177454012
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
(6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
CID 139255285
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
CID 11327622
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one
CID 11362619

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one (CID 23651169) is (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one is CC(C)(C)[Si](OC[C@]1(C)COC(=O)N1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is YQMZSYUYACOQGK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-20(2,3)26(17-11-7-5-8-12-17,18-13-9-6-10-14-18)25-16-21(4)15-24-19(23)22-21/h5-14H,15-16H2,1-4H3,(H,22,23)/t21-/m0/s1.
What are the key properties of (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 369.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23651169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).