(4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one

C26H41NO6Si — CID 10907127

IUPAC(4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H41NO6Si/c1-18(23(28)27-20(16-30-24(27)29)15-19-12-10-9-11-13-19)14-21(22-17-31-26(5,6)32-22)33-34(7,8)25(2,3)4/h9-13,18,20-22H,14-17H2,1-8H3/t18-,20-,21-,22+/m0/s1
InChIKeyQUPWPBMADVBNTA-JKLQHZFJSA-N
MW491.70 g/mol
LogP5.14
Rot. Bonds8

About (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 10907127) has the molecular formula C26H41NO6Si and a molecular weight of 491.70 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID10907127
Molecular FormulaC26H41NO6Si
Molecular Weight491.70 g/mol
Exact Mass491.27
IUPAC Name(4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C26H41NO6Si/c1-18(23(28)27-20(16-30-24(27)29)15-19-12-10-9-11-13-19)14-21(22-17-31-26(5,6)32-22)33-34(7,8)25(2,3)4/h9-13,18,20-22H,14-17H2,1-8H3/t18-,20-,21-,22+/m0/s1
InChIKeyQUPWPBMADVBNTA-JKLQHZFJSA-N
XLogP5.14
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4R)-4-benzyl-3-[(2R,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11112627
(5R)-1-benzyl-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 10884298
(4R)-4-benzyl-3-[(2R,3S,4R,5R)-3-hydroxy-2,4-dimethyl-5-tri(propan-2-yl)silyloxyhexanoyl]-1,3-oxazolidin-2-one
CID 10962013
(2S,4R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)pentane-1,3-dione
CID 11143282
(4R)-4-benzyl-3-[(2R,3S,4S,5R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxy-8-methoxy-2,4-dimethyloctanoyl]-1,3-oxazolidin-2-one
CID 11145791
(4S,5R)-3-[(2S)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-hydroxypropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 16080185
methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 24805913
tert-butyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 24805914
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one
CID 25186473
(4R)-4-benzyl-3-[(2R,3S,5R,6R)-3,6,9-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-2,6-dimethylnonanoyl]-1,3-oxazolidin-2-one
CID 54577487
(4R)-4-benzyl-3-[(2S)-2-methyl-6-[(2S,3S,5R)-3-methyl-5-(2-trimethylsilylethoxy)oxolan-2-yl]hex-4-enoyl]-1,3-oxazolidin-2-one
CID 134831589

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one (CID 10907127) is (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one is C[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QUPWPBMADVBNTA-JKLQHZFJSA-N. The full InChI is InChI=1S/C26H41NO6Si/c1-18(23(28)27-20(16-30-24(27)29)15-19-12-10-9-11-13-19)14-21(22-17-31-26(5,6)32-22)33-34(7,8)25(2,3)4/h9-13,18,20-22H,14-17H2,1-8H3/t18-,20-,21-,22+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 491.70 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10907127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).