(4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one

C24H39NO6Si — CID 134941814

IUPAC(4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESCC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H]([C@]2(COCc3ccccc3)COC(=O)N2)O1
InChIInChI=1S/C24H39NO6Si/c1-22(2,3)32(6,7)29-14-13-19-20(31-23(4,5)30-19)24(17-28-21(26)25-24)16-27-15-18-11-9-8-10-12-18/h8-12,19-20H,13-17H2,1-7H3,(H,25,26)/t19-,20+,24+/m1/s1
InChIKeyJLHQSHURJCMWGD-NMMYMHLASA-N
MW465.66 g/mol
LogP4.61
Rot. Bonds9

About (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one

(4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 134941814) has the molecular formula C24H39NO6Si and a molecular weight of 465.66 g/mol. Its IUPAC name is (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID134941814
Molecular FormulaC24H39NO6Si
Molecular Weight465.66 g/mol
Exact Mass465.25
IUPAC Name(4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESCC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H]([C@]2(COCc3ccccc3)COC(=O)N2)O1
InChIInChI=1S/C24H39NO6Si/c1-22(2,3)32(6,7)29-14-13-19-20(31-23(4,5)30-19)24(17-28-21(26)25-24)16-27-15-18-11-9-8-10-12-18/h8-12,19-20H,13-17H2,1-7H3,(H,25,26)/t19-,20+,24+/m1/s1
InChIKeyJLHQSHURJCMWGD-NMMYMHLASA-N
XLogP4.61
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-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

benzyl N-[(4R,5S,6S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6-[(E)-prop-1-enyl]-1,3-dioxan-5-yl]carbamate
CID 60194958
(4S,5S)-5-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-(phenylmethoxymethoxy)pentyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 134944815
(4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-phenylmethoxypropyl]-4-(methoxymethoxymethyl)-1,3-oxazolidin-2-one
CID 134971254
benzyl N-[[(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-cyanomethyl]carbamate
CID 21591610
benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate
CID 23397459
benzyl N-[(3aR,6aR)-3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl]carbamate
CID 60093555
benzyl N-[4,4-dimethoxy-2,3-bis(prop-2-enyl)oxolan-3-yl]carbamate
CID 69920510
benzyl((3aRS,4SR,6RS,6aRS)-6-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)carbamate
CID 86630234
benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
CID 123453143
benzyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 173907044
benzyl N-[(3S,3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamate
CID 176166888
tert-butyl N-[(2S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-1-phenylmethoxybutan-2-yl]carbamate
CID 10602186

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (CID 134941814) is (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is CC1(C)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@H]([C@]2(COCc3ccccc3)COC(=O)N2)O1.
What is the InChIKey of (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is JLHQSHURJCMWGD-NMMYMHLASA-N. The full InChI is InChI=1S/C24H39NO6Si/c1-22(2,3)32(6,7)29-14-13-19-20(31-23(4,5)30-19)24(17-28-21(26)25-24)16-27-15-18-11-9-8-10-12-18/h8-12,19-20H,13-17H2,1-7H3,(H,25,26)/t19-,20+,24+/m1/s1.
What are the key properties of (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
(4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 465.66 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134941814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).