(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one

C23H31NO3Si — CID 15408396

IUPAC(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)26-17-20-21(19-14-10-7-11-15-19)24(22(25)27-20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21+/m1/s1
InChIKeyGAMRSKKXZPMPMZ-RTWAWAEBSA-N
MW397.59 g/mol
LogP5.77
Rot. Bonds6

About (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one

(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 15408396) has the molecular formula C23H31NO3Si and a molecular weight of 397.59 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID15408396
Molecular FormulaC23H31NO3Si
Molecular Weight397.59 g/mol
Exact Mass397.21
IUPAC Name(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)26-17-20-21(19-14-10-7-11-15-19)24(22(25)27-20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21+/m1/s1
InChIKeyGAMRSKKXZPMPMZ-RTWAWAEBSA-N
XLogP5.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.59
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-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

Related Compounds

(3S,4R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylazetidin-2-one
CID 15895933
1,4-dibenzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperazin-2-one
CID 123771378
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 15441175
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
CID 11471425
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15038414
(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 6871923
(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14281572
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-2-(2-phenylmethoxyethyl)morpholin-3-one
CID 131747384
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one
CID 131747383
(2R,3S,6R,7S)-4-benzyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-2-propan-2-yl-1,4-diazabicyclo[4.2.0]octane-5,8-dione
CID 101423722
[(2R,3S)-1-benzyl-3-ethylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 12030475
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 76787690

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one (CID 15408396) is (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GAMRSKKXZPMPMZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H31NO3Si/c1-23(2,3)28(4,5)26-17-20-21(19-14-10-7-11-15-19)24(22(25)27-20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21+/m1/s1.
What are the key properties of (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 397.59 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15408396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).