tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C33H43NO4Si — CID 11180332

IUPACtert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2)COC1(C)C
InChIInChI=1S/C33H43NO4Si/c1-31(2,3)37-30(35)34-28(24-36-33(34,7)8)29(25-18-12-9-13-19-25)38-39(32(4,5)6,26-20-14-10-15-21-26)27-22-16-11-17-23-27/h9-23,28-29H,24H2,1-8H3/t28-,29-/m0/s1
InChIKeyBVPOEEKAWWSGDV-VMPREFPWSA-N
MW545.80 g/mol
LogP6.68
Rot. Bonds6

About tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11180332) has the molecular formula C33H43NO4Si and a molecular weight of 545.80 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11180332
Molecular FormulaC33H43NO4Si
Molecular Weight545.80 g/mol
Exact Mass545.30
IUPAC Nametert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2)COC1(C)C
InChIInChI=1S/C33H43NO4Si/c1-31(2,3)37-30(35)34-28(24-36-33(34,7)8)29(25-18-12-9-13-19-25)38-39(32(4,5)6,26-20-14-10-15-21-26)27-22-16-11-17-23-27/h9-23,28-29H,24H2,1-8H3/t28-,29-/m0/s1
InChIKeyBVPOEEKAWWSGDV-VMPREFPWSA-N
XLogP6.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.80
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 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 (2S,4S,5S)-4-benzyl-2-phenyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
CID 15338635
benzyl (2S,4S,5S)-4-benzyl-2-tert-butyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
CID 15338634
benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-fluorohept-6-en-2-yl]-N-(3-methylbutyl)carbamate
CID 89934016
benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-fluoroheptan-2-yl]-N-(3-methylbutyl)carbamate
CID 89934017
benzyl (2S,3S,4S)-2-ethenyl-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 10813139
tert-butyl (2R,4R)-2-[(E,3S)-3-methyl-4-phenylmethoxybut-1-enyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 10873559
tert-butyl (2S,3R,4R,5R)-2-benzyl-5-butyl-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11082001
[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11113721
(4S)-3-[(4R)-4-hydroxy-4-phenyl-3-trimethylsilylbuta-1,2-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11179509
tert-butyl (2R,5S)-2-[(4S)-1-[tert-butyl(diphenyl)silyl]oxyoct-7-en-4-yl]-2-ethenyl-5-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 11578412
1-O-tert-butyl 2-O-[(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-2-enyl] (5S)-5-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 11636081
(4S)-tert-Butyl 4-(hydroxydiphenylmethyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11783928

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11180332) is tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H]([C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BVPOEEKAWWSGDV-VMPREFPWSA-N. The full InChI is InChI=1S/C33H43NO4Si/c1-31(2,3)37-30(35)34-28(24-36-33(34,7)8)29(25-18-12-9-13-19-25)38-39(32(4,5)6,26-20-14-10-15-21-26)27-22-16-11-17-23-27/h9-23,28-29H,24H2,1-8H3/t28-,29-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 545.80 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11180332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).