(4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate

C34H52F3NO7SSi2 — CID 174060062

IUPAC(4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
SMILESCC(C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C27H37NO4Si.C7H15F3O3SSi/c1-20(24(29)28-23(19-31-25(28)30)18-21-14-10-8-11-15-21)27(5,22-16-12-9-13-17-22)32-33(6,7)26(2,3)4;1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h8-17,20,23H,18-19H2,1-7H3;1-5H3/t20?,23-,27?;/m1./s1
InChIKeyPWIGCWOJNYMCIH-MIRTUEKHSA-N
MW732.02 g/mol
LogP9.01
Rot. Bonds9

About (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate

(4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate (PubChem CID 174060062) has the molecular formula C34H52F3NO7SSi2 and a molecular weight of 732.02 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
PubChem CID174060062
Molecular FormulaC34H52F3NO7SSi2
Molecular Weight732.02 g/mol
Exact Mass731.30
IUPAC Name(4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate
SMILESCC(C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C27H37NO4Si.C7H15F3O3SSi/c1-20(24(29)28-23(19-31-25(28)30)18-21-14-10-8-11-15-21)27(5,22-16-12-9-13-17-22)32-33(6,7)26(2,3)4;1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h8-17,20,23H,18-19H2,1-7H3;1-5H3/t20?,23-,27?;/m1./s1
InChIKeyPWIGCWOJNYMCIH-MIRTUEKHSA-N
XLogP9.01
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.02
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
ethyl (3S)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2,2-difluoro-3-methyl-4-oxobutanoate
CID 11024666
(4S)-4-benzyl-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 131746618
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(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
(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
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-1-oxopentane-2-sulfonyl chloride
CID 87873148
(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-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate?
The IUPAC name of (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) is (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate.
What is the SMILES notation for (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate?
The canonical SMILES for (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate is CC(C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)(O[Si](C)(C)C(C)(C)C)c1ccccc1.CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate?
The InChIKey is PWIGCWOJNYMCIH-MIRTUEKHSA-N. The full InChI is InChI=1S/C27H37NO4Si.C7H15F3O3SSi/c1-20(24(29)28-23(19-31-25(28)30)18-21-14-10-8-11-15-21)27(5,22-16-12-9-13-17-22)32-33(6,7)26(2,3)4;1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h8-17,20,23H,18-19H2,1-7H3;1-5H3/t20?,23-,27?;/m1./s1.
What are the key properties of (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate?
(4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate has a molecular weight of 732.02 g/mol, XLogP of 9.01, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylbutanoyl]-1,3-oxazolidin-2-one;[tert-butyl(dimethyl)silyl] trifluoromethanesulfonate is sourced from PubChem (CID 174060062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).