methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

C22H33NO6Si — CID 24805913

IUPACmethyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCOC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H33NO6Si/c1-22(2,3)30(5,6)29-18(12-13-19(24)27-4)20(25)23-17(15-28-21(23)26)14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m1/s1
InChIKeyVEIXTIDJVHJVEO-MSOLQXFVSA-N
MW435.59 g/mol
LogP3.92
Rot. Bonds8

About methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate

methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (PubChem CID 24805913) has the molecular formula C22H33NO6Si and a molecular weight of 435.59 g/mol. Its IUPAC name is methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
PubChem CID24805913
Molecular FormulaC22H33NO6Si
Molecular Weight435.59 g/mol
Exact Mass435.21
IUPAC Namemethyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCOC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H33NO6Si/c1-22(2,3)30(5,6)29-18(12-13-19(24)27-4)20(25)23-17(15-28-21(23)26)14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m1/s1
InChIKeyVEIXTIDJVHJVEO-MSOLQXFVSA-N
XLogP3.92
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate 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

methyl (3S,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
CID 10938316
methyl (3S,4R)-5-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-4-methyl-5-oxo-3-propan-2-ylpentanoate
CID 134905072
methyl (3R,4R)-5-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3,4-dimethyl-5-oxopentanoate
CID 134905839
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4S)-4-Benzyl-3-[(2R,3S)-2,4-dimethyl-3-(trimethylsiloxy) pent-4-enoyl)]-oxazolidin-2-one
CID 53470471
(4S)-3-[4-(t-butyldimethylsilyloxy)butanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 54671782
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802
(4R)-4-benzyl-3-[(2S,4E)-2-triethylsilyloxy-5-(trifluoromethyl)octa-4,7-dienoyl]-1,3-oxazolidin-2-one
CID 68033517
(4S)-4-benzyl-3-[2-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 69501503
(4R)-4-benzyl-3-[(Z,2S)-6,6,6-trifluoro-5-iodo-2-triethylsilyloxyhex-4-enoyl]-1,3-oxazolidin-2-one
CID 88566430
(4R)-4-benzyl-3-[(2S)-2-triethylsilyloxy-5-(trifluoromethyl)oct-7-enoyl]-1,3-oxazolidin-2-one
CID 88983225
(4R)-4-benzyl-3-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(3-fluorophenyl)methyl]pentanoyl]-1,3-oxazolidin-2-one
CID 172246541

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The IUPAC name of methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (CID 24805913) is methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.
What is the SMILES notation for methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The canonical SMILES for methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is COC(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The InChIKey is VEIXTIDJVHJVEO-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H33NO6Si/c1-22(2,3)30(5,6)29-18(12-13-19(24)27-4)20(25)23-17(15-28-21(23)26)14-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18+/m1/s1.
What are the key properties of methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate has a molecular weight of 435.59 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is sourced from PubChem (CID 24805913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).