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

C25H39NO6Si — CID 152724428

IUPAC4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C25H39NO6Si/c1-17(21(20-16-30-25(5,6)31-20)32-33(7,8)24(2,3)4)22(27)26-19(15-29-23(26)28)14-18-12-10-9-11-13-18/h9-13,17,19-21H,14-16H2,1-8H3/t17-,19?,20-,21-/m1/s1
InChIKeyZWHMOPVDDFGFLR-ZZBWNSIASA-N
MW477.67 g/mol
LogP4.75
Rot. Bonds7

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

4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 152724428) has the molecular formula C25H39NO6Si and a molecular weight of 477.67 g/mol. Its IUPAC name is 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID152724428
Molecular FormulaC25H39NO6Si
Molecular Weight477.67 g/mol
Exact Mass477.25
IUPAC Name4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C25H39NO6Si/c1-17(21(20-16-30-25(5,6)31-20)32-33(7,8)24(2,3)4)22(27)26-19(15-29-23(26)28)14-18-12-10-9-11-13-18/h9-13,17,19-21H,14-16H2,1-8H3/t17-,19?,20-,21-/m1/s1
InChIKeyZWHMOPVDDFGFLR-ZZBWNSIASA-N
XLogP4.75
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023007
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023031
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4S)-4-Benzyl-3-[(2R,3S)-2,4-dimethyl-3-(trimethylsiloxy) pent-4-enoyl)]-oxazolidin-2-one
CID 53470471
Tert-butyl 2-[2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]-4-fluoropyrrolidine-1-carboxylate
CID 68815845
2-(R)-[2-(S)-benzyl-1-(S)-(tert-butyl-dimethylsilanyloxy)-3-(4-(S)-isopropyl-2-oxo-oxazolidin-3-yl)-3-oxopropyl]-4-(R)-fluoropyrrolidine-1-carboxylic acid tert-butyl ester
CID 68815846
tert-butyl 2-[(1S,2S)-2-benzyl-1-[tert-butyl(dimethyl)silyl]oxy-3-oxo-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]-4-fluoropyrrolidine-1-carboxylate
CID 68815848
(S)-3-((2R,3R)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl)-4-benzyloxazolidin-2-one
CID 90281141
4-benzyl-3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 90281142
(4R)-3-[(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 118423801
(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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 152724428) is 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZWHMOPVDDFGFLR-ZZBWNSIASA-N. The full InChI is InChI=1S/C25H39NO6Si/c1-17(21(20-16-30-25(5,6)31-20)32-33(7,8)24(2,3)4)22(27)26-19(15-29-23(26)28)14-18-12-10-9-11-13-18/h9-13,17,19-21H,14-16H2,1-8H3/t17-,19?,20-,21-/m1/s1.
What are the key properties of 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 477.67 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 152724428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).