benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate

C30H41NO7Si — CID 10918705

IUPACbenzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate
SMILESCC[Si](CC)(CC)OC(C)(C)C[C@@H](OC(=O)OCc1ccccc1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C30H41NO7Si/c1-7-39(8-2,9-3)38-30(5,6)20-25(36-29(34)35-21-23-16-12-10-13-17-23)27(32)31-22(4)26(37-28(31)33)24-18-14-11-15-19-24/h10-19,22,25-26H,7-9,20-21H2,1-6H3/t22-,25-,26-/m1/s1
InChIKeyMGDWZGLCTGRJCG-DNRSQYFGSA-N
MW555.74 g/mol
LogP7.01
Rot. Bonds12

About benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate

benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate (PubChem CID 10918705) has the molecular formula C30H41NO7Si and a molecular weight of 555.74 g/mol. Its IUPAC name is benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate.

Molecular Properties

Compound Namebenzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate
PubChem CID10918705
Molecular FormulaC30H41NO7Si
Molecular Weight555.74 g/mol
Exact Mass555.27
IUPAC Namebenzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate
SMILESCC[Si](CC)(CC)OC(C)(C)C[C@@H](OC(=O)OCc1ccccc1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C30H41NO7Si/c1-7-39(8-2,9-3)38-30(5,6)20-25(36-29(34)35-21-23-16-12-10-13-17-23)27(32)31-22(4)26(37-28(31)33)24-18-14-11-15-19-24/h10-19,22,25-26H,7-9,20-21H2,1-6H3/t22-,25-,26-/m1/s1
InChIKeyMGDWZGLCTGRJCG-DNRSQYFGSA-N
XLogP7.01
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.74
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate with MolForge

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Related Compounds

(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893992
(4S,5R)-4-methyl-5-phenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11077752
(S)-4-Benzyl-3-(4-benzyloxybutyryl)oxazolidin-2-one
CID 11142747
(4R,5S)-4-methyl-5-phenyl-3-(3-phenyl-propionyl)oxazolidine-2-one
CID 13461718
(4R)-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363267
(s)-4-Benzyl-3-[(s)-4-(benzyloxy)-2-methylbutanoyl]oxazolidin-2-one
CID 131974589
(5S)-3-[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propoxy]acetyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57697097
(4R,5S)-4-methyl-5-phenyl-3-(2-phenylmethoxyacetyl)-1,3-oxazolidin-2-one
CID 10980284
(E,2S,3R)-1-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-6-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxymethyl)-2-phenylmethoxyhex-4-en-1-one
CID 11445588
(4S)-3-[(2R)-4-methyl-2-[(2R,3R)-3-methyl-1,3-bis(phenylmethoxy)hept-6-en-2-yl]oxypent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11478575
(4R)-4-benzyl-3-[2-[(3R,4S)-3-phenylmethoxytetradec-1-en-4-yl]oxyacetyl]-1,3-oxazolidin-2-one
CID 11663794
(5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-3-[(2S)-1-phenylbut-3-en-2-yl]-2-(phenylselanylmethyl)-1,3-oxazolidin-4-one
CID 12033109

Frequently Asked Questions

What is the IUPAC name of benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate?
The IUPAC name of benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate (CID 10918705) is benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate.
What is the SMILES notation for benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate?
The canonical SMILES for benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate is CC[Si](CC)(CC)OC(C)(C)C[C@@H](OC(=O)OCc1ccccc1)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate?
The InChIKey is MGDWZGLCTGRJCG-DNRSQYFGSA-N. The full InChI is InChI=1S/C30H41NO7Si/c1-7-39(8-2,9-3)38-30(5,6)20-25(36-29(34)35-21-23-16-12-10-13-17-23)27(32)31-22(4)26(37-28(31)33)24-18-14-11-15-19-24/h10-19,22,25-26H,7-9,20-21H2,1-6H3/t22-,25-,26-/m1/s1.
What are the key properties of benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate?
benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate has a molecular weight of 555.74 g/mol, XLogP of 7.01, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(2R)-4-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-4-triethylsilyloxypentan-2-yl] carbonate is sourced from PubChem (CID 10918705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).