3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one

C15H29NO4SSi — CID 42604601

IUPAC3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)SCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO4SSi/c1-12(11-13(17)16-7-8-19-14(16)18)21-10-9-20-22(5,6)15(2,3)4/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyXHJFTFUPJHYUDF-GFCCVEGCSA-N
MW347.55 g/mol
LogP3.50
Rot. Bonds7

About 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 42604601) has the molecular formula C15H29NO4SSi and a molecular weight of 347.55 g/mol. Its IUPAC name is 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID42604601
Molecular FormulaC15H29NO4SSi
Molecular Weight347.55 g/mol
Exact Mass347.16
IUPAC Name3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1CCOC1=O)SCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO4SSi/c1-12(11-13(17)16-7-8-19-14(16)18)21-10-9-20-22(5,6)15(2,3)4/h12H,7-11H2,1-6H3/t12-/m1/s1
InChIKeyXHJFTFUPJHYUDF-GFCCVEGCSA-N
XLogP3.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
CID 66112828
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
CID 102445066
ethyl (2S,3S)-3-methyl-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473921
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one
CID 140927699
3-(4-bromo-3-ethylhexanoyl)-1,3-oxazolidin-2-one
CID 15890022
3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 101146579

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one (CID 42604601) is 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1CCOC1=O)SCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is XHJFTFUPJHYUDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H29NO4SSi/c1-12(11-13(17)16-7-8-19-14(16)18)21-10-9-20-22(5,6)15(2,3)4/h12H,7-11H2,1-6H3/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 347.55 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42604601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).