(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one

C26H41NO5Si — CID 67889837

IUPAC(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)C1
InChIInChI=1S/C26H41NO5Si/c1-18(22(20-15-26(5,6)31-16-20)32-33(7,8)25(2,3)4)23(28)27-21(17-30-24(27)29)14-19-12-10-9-11-13-19/h9-13,18,20-22H,14-17H2,1-8H3/t18-,20-,21-,22-/m1/s1
InChIKeyDWILGSZADLUNPX-ZHHKINOHSA-N
MW475.70 g/mol
LogP5.42
Rot. Bonds7

About (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 67889837) has the molecular formula C26H41NO5Si and a molecular weight of 475.70 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID67889837
Molecular FormulaC26H41NO5Si
Molecular Weight475.70 g/mol
Exact Mass475.28
IUPAC Name(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)C1
InChIInChI=1S/C26H41NO5Si/c1-18(22(20-15-26(5,6)31-16-20)32-33(7,8)25(2,3)4)23(28)27-21(17-30-24(27)29)14-19-12-10-9-11-13-19/h9-13,18,20-22H,14-17H2,1-8H3/t18-,20-,21-,22-/m1/s1
InChIKeyDWILGSZADLUNPX-ZHHKINOHSA-N
XLogP5.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.70
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one (CID 67889837) is (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)C1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is DWILGSZADLUNPX-ZHHKINOHSA-N. The full InChI is InChI=1S/C26H41NO5Si/c1-18(22(20-15-26(5,6)31-16-20)32-33(7,8)25(2,3)4)23(28)27-21(17-30-24(27)29)14-19-12-10-9-11-13-19/h9-13,18,20-22H,14-17H2,1-8H3/t18-,20-,21-,22-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 475.70 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67889837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).