(4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane

C40H64N2O8Si — CID 161180827

IUPAC(4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane
SMILESC.C.C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(C)O.C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si.C16H21NO4.2CH4/c1-16(22(5,6)27-28(7,8)21(2,3)4)19(24)23-18(15-26-20(23)25)14-17-12-10-9-11-13-17;1-11(16(2,3)20)14(18)17-13(10-21-15(17)19)9-12-7-5-4-6-8-12;;/h9-13,16,18H,14-15H2,1-8H3;4-8,11,13,20H,9-10H2,1-3H3;2*1H4/t16-,18-;11-,13-;;/m11../s1
InChIKeyUSKUAIAAZQCLSP-MSQTXUMDSA-N
MW729.04 g/mol
LogP8.27
Rot. Bonds10

About (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane

(4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane (PubChem CID 161180827) has the molecular formula C40H64N2O8Si and a molecular weight of 729.04 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane
PubChem CID161180827
Molecular FormulaC40H64N2O8Si
Molecular Weight729.04 g/mol
Exact Mass728.44
IUPAC Name(4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane
SMILESC.C.C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(C)O.C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si.C16H21NO4.2CH4/c1-16(22(5,6)27-28(7,8)21(2,3)4)19(24)23-18(15-26-20(23)25)14-17-12-10-9-11-13-17;1-11(16(2,3)20)14(18)17-13(10-21-15(17)19)9-12-7-5-4-6-8-12;;/h9-13,16,18H,14-15H2,1-8H3;4-8,11,13,20H,9-10H2,1-3H3;2*1H4/t16-,18-;11-,13-;;/m11../s1
InChIKeyUSKUAIAAZQCLSP-MSQTXUMDSA-N
XLogP8.27
TPSA122.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.04
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane with MolForge

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Related Compounds

(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
CID 174060062
(4R)-4-benzyl-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanoyl]-1,3-oxazolidin-2-one
CID 72723548
(4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2R)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;methane
CID 157354684
(2R,3R,4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanal
CID 101354502
(4S)-4-benzyl-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 131746618
ethyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,2-difluoro-3-methyl-4-oxobutanoate
CID 11024666
(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 11050056
4-benzyl-3-[(2S)-2-ethyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 175760920
(4S)-4-benzyl-3-(2-ethyl-3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 155316900
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane?
The IUPAC name of (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane (CID 161180827) is (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane.
What is the SMILES notation for (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane?
The canonical SMILES for (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane is C.C.C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(C)O.C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane?
The InChIKey is USKUAIAAZQCLSP-MSQTXUMDSA-N. The full InChI is InChI=1S/C22H35NO4Si.C16H21NO4.2CH4/c1-16(22(5,6)27-28(7,8)21(2,3)4)19(24)23-18(15-26-20(23)25)14-17-12-10-9-11-13-17;1-11(16(2,3)20)14(18)17-13(10-21-15(17)19)9-12-7-5-4-6-8-12;;/h9-13,16,18H,14-15H2,1-8H3;4-8,11,13,20H,9-10H2,1-3H3;2*1H4/t16-,18-;11-,13-;;/m11../s1.
What are the key properties of (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane?
(4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane has a molecular weight of 729.04 g/mol, XLogP of 8.27, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4R)-4-benzyl-3-[(2S)-3-hydroxy-2,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;methane is sourced from PubChem (CID 161180827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).