(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one

C29H49NO5Si2 — CID 25186473

IUPAC(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H49NO5Si2/c1-12-24(26(31)30-23(21-33-27(30)32)20-22-16-14-13-15-17-22)25(35-37(10,11)29(5,6)7)18-19-34-36(8,9)28(2,3)4/h12-17,23-25H,1,18-21H2,2-11H3/t23-,24-,25+/m1/s1
InChIKeyHMLDFCWJAPMDBQ-SDHSZQHLSA-N
MW547.89 g/mol
LogP7.18
Rot. Bonds11

About (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 25186473) has the molecular formula C29H49NO5Si2 and a molecular weight of 547.89 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID25186473
Molecular FormulaC29H49NO5Si2
Molecular Weight547.89 g/mol
Exact Mass547.31
IUPAC Name(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H49NO5Si2/c1-12-24(26(31)30-23(21-33-27(30)32)20-22-16-14-13-15-17-22)25(35-37(10,11)29(5,6)7)18-19-34-36(8,9)28(2,3)4/h12-17,23-25H,1,18-21H2,2-11H3/t23-,24-,25+/m1/s1
InChIKeyHMLDFCWJAPMDBQ-SDHSZQHLSA-N
XLogP7.18
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.89
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-Benzyl-3-((1-methoxy-5-methylcyclohexen-4-yl)carbonyl)-2-oxazolidinone
CID 126832
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023007
(4S)-4-benzyl-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 135023031
tert-butyl 2-[(1S,5R)-5-[(1R,2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropyl]cyclopent-2-en-1-yl]acetate
CID 71479947
(4S)-4-Benzyl-3[(2S,3R)-(3-hydroxy-2-methylpentanoyl)]oxazolidin-2-on
CID 11022653
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(R)-tert-butyl 4-((1R,2R)-3-((R)-4-benzyl-2-oxooxazolidin-3-yl)-1-hydroxy-2-methyl-3-oxopropyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 11953594
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
CID 12099261
(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)-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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one (CID 25186473) is (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one is C=C[C@@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HMLDFCWJAPMDBQ-SDHSZQHLSA-N. The full InChI is InChI=1S/C29H49NO5Si2/c1-12-24(26(31)30-23(21-33-27(30)32)20-22-16-14-13-15-17-22)25(35-37(10,11)29(5,6)7)18-19-34-36(8,9)28(2,3)4/h12-17,23-25H,1,18-21H2,2-11H3/t23-,24-,25+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 547.89 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-ethenylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25186473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).