(4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one

C18H27NO4Si — CID 101069805

IUPAC(4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)OCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H27NO4Si/c1-4-24(5-2,6-3)23-14-17(20)19-16(13-22-18(19)21)12-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3/t16-/m0/s1
InChIKeyXFDOCLSOXBMVLX-INIZCTEOSA-N
MW349.50 g/mol
LogP3.60
Rot. Bonds8

About (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one (PubChem CID 101069805) has the molecular formula C18H27NO4Si and a molecular weight of 349.50 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one
PubChem CID101069805
Molecular FormulaC18H27NO4Si
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name(4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)OCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H27NO4Si/c1-4-24(5-2,6-3)23-14-17(20)19-16(13-22-18(19)21)12-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3/t16-/m0/s1
InChIKeyXFDOCLSOXBMVLX-INIZCTEOSA-N
XLogP3.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one (CID 101069805) is (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one is CC[Si](CC)(CC)OCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one?
The InChIKey is XFDOCLSOXBMVLX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27NO4Si/c1-4-24(5-2,6-3)23-14-17(20)19-16(13-22-18(19)21)12-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one has a molecular weight of 349.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(2-triethylsilyloxyacetyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 101069805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).