(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one

C29H33NO3Si — CID 15441175

IUPAC(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C29H33NO3Si/c1-5-26-27(33-28(31)30(26)21-23-15-9-6-10-16-23)22-32-34(29(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,26-27H,1,21-22H2,2-4H3/t26-,27+/m0/s1
InChIKeyYRWSTRUQIMMWDA-RRPNLBNLSA-N
MW471.67 g/mol
LogP5.14
Rot. Bonds8

About (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one

(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one (PubChem CID 15441175) has the molecular formula C29H33NO3Si and a molecular weight of 471.67 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
PubChem CID15441175
Molecular FormulaC29H33NO3Si
Molecular Weight471.67 g/mol
Exact Mass471.22
IUPAC Name(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C29H33NO3Si/c1-5-26-27(33-28(31)30(26)21-23-15-9-6-10-16-23)22-32-34(29(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,26-27H,1,21-22H2,2-4H3/t26-,27+/m0/s1
InChIKeyYRWSTRUQIMMWDA-RRPNLBNLSA-N
XLogP5.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.67
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15038414
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
CID 134880347
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 15408396
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059
(1S)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 14824006
(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
CID 68912098
tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one
CID 131747383
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
(4R)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-6-ethenyl-1,3-dioxan-2-one
CID 102588754

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one (CID 15441175) is (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one is C=C[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is YRWSTRUQIMMWDA-RRPNLBNLSA-N. The full InChI is InChI=1S/C29H33NO3Si/c1-5-26-27(33-28(31)30(26)21-23-15-9-6-10-16-23)22-32-34(29(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h5-20,26-27H,1,21-22H2,2-4H3/t26-,27+/m0/s1.
What are the key properties of (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one?
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 471.67 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15441175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).