(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one

C19H29NO3Si — CID 11121580

IUPAC(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1NC(=O)OC1/C=C/c1ccccc1
InChIInChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)22-14-13-16-17(23-18(21)20-16)12-11-15-9-7-6-8-10-15/h6-12,16-17H,13-14H2,1-5H3,(H,20,21)/b12-11+/t16-,17?/m0/s1
InChIKeyPWGNXMWNXUZLMZ-FSNYXLCYSA-N
MW347.53 g/mol
LogP4.59
Rot. Bonds6

About (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one

(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 11121580) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID11121580
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Name(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1NC(=O)OC1/C=C/c1ccccc1
InChIInChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)22-14-13-16-17(23-18(21)20-16)12-11-15-9-7-6-8-10-15/h6-12,16-17H,13-14H2,1-5H3,(H,20,21)/b12-11+/t16-,17?/m0/s1
InChIKeyPWGNXMWNXUZLMZ-FSNYXLCYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.59
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

benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 401740
tert-butyl N-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-tri(propan-2-yl)silyloxybutan-2-yl]carbamate
CID 12169283
(2s)-methyl N-[1-cinnamyl-2-(triisopropylsilyloxy)propyl]carbamate
CID 129826305
benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]carbamate
CID 134852253
benzyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]carbamate
CID 134852477
(4S,5S)-5-methyl-4-[(E)-6-phenylmethoxyhex-2-enyl]-1,3-oxazolidin-2-one
CID 134853269
(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
CID 134950136
tert-butyl N-[(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylpent-4-en-2-yl]carbamate
CID 134952663
(5S)-5-phenyl-4-trimethylsilyl-1,3-oxazolidin-2-one
CID 138975097
benzyl N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]carbamate
CID 11624180
(4S)-4-(2-hydroxyethyl)-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 11746544
[(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate
CID 10177895

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 11121580) is (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCC[C@@H]1NC(=O)OC1/C=C/c1ccccc1.
What is the InChIKey of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is PWGNXMWNXUZLMZ-FSNYXLCYSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)22-14-13-16-17(23-18(21)20-16)12-11-15-9-7-6-8-10-15/h6-12,16-17H,13-14H2,1-5H3,(H,20,21)/b12-11+/t16-,17?/m0/s1.
What are the key properties of (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 347.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11121580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).