(4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

C27H46N2O3Si2 — CID 10673086

IUPAC(4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)OCCc1c([Si](CC)(CC)CC)[nH]c2ccc(C[C@H]3COC(=O)N3C)cc12
InChIInChI=1S/C27H46N2O3Si2/c1-8-33(9-2,10-3)26-23(16-17-32-34(11-4,12-5)13-6)24-19-21(14-15-25(24)28-26)18-22-20-31-27(30)29(22)7/h14-15,19,22,28H,8-13,16-18,20H2,1-7H3/t22-/m0/s1
InChIKeyYWOPIGJBWFDFRB-QFIPXVFZSA-N
MW502.85 g/mol
LogP6.44
Rot. Bonds13

About (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

(4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 10673086) has the molecular formula C27H46N2O3Si2 and a molecular weight of 502.85 g/mol. Its IUPAC name is (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID10673086
Molecular FormulaC27H46N2O3Si2
Molecular Weight502.85 g/mol
Exact Mass502.30
IUPAC Name(4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)OCCc1c([Si](CC)(CC)CC)[nH]c2ccc(C[C@H]3COC(=O)N3C)cc12
InChIInChI=1S/C27H46N2O3Si2/c1-8-33(9-2,10-3)26-23(16-17-32-34(11-4,12-5)13-6)24-19-21(14-15-25(24)28-26)18-22-20-31-27(30)29(22)7/h14-15,19,22,28H,8-13,16-18,20H2,1-7H3/t22-/m0/s1
InChIKeyYWOPIGJBWFDFRB-QFIPXVFZSA-N
XLogP6.44
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.85
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 10673086) is (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is CC[Si](CC)(CC)OCCc1c([Si](CC)(CC)CC)[nH]c2ccc(C[C@H]3COC(=O)N3C)cc12.
What is the InChIKey of (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YWOPIGJBWFDFRB-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H46N2O3Si2/c1-8-33(9-2,10-3)26-23(16-17-32-34(11-4,12-5)13-6)24-19-21(14-15-25(24)28-26)18-22-20-31-27(30)29(22)7/h14-15,19,22,28H,8-13,16-18,20H2,1-7H3/t22-/m0/s1.
What are the key properties of (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
(4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 502.85 g/mol, XLogP of 6.44, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10673086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).