3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C19H29NO4Si — CID 100943874

IUPAC3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1CCOC1=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H29NO4Si/c1-14(17(21)20-12-13-23-18(20)22)16(15-10-8-7-9-11-15)24-25(5,6)19(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1
InChIKeyCRHRLGZPSDYECP-ZBFHGGJFSA-N
MW363.53 g/mol
LogP4.36
Rot. Bonds5

About 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 100943874) has the molecular formula C19H29NO4Si and a molecular weight of 363.53 g/mol. Its IUPAC name is 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID100943874
Molecular FormulaC19H29NO4Si
Molecular Weight363.53 g/mol
Exact Mass363.19
IUPAC Name3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](C(=O)N1CCOC1=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H29NO4Si/c1-14(17(21)20-12-13-23-18(20)22)16(15-10-8-7-9-11-15)24-25(5,6)19(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1
InChIKeyCRHRLGZPSDYECP-ZBFHGGJFSA-N
XLogP4.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[(2S,3S)-4-benzyl-3-hydroxy-2-methylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846980
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49846983
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-1,3-oxazolidin-2-one
CID 49847056
(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
(4R)-4-benzyl-3-[(2S,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 176430323
(4S)-3-[(3R)-3-hydroxy-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10731230
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
(4R)-4-benzyl-3-[(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11060530
(4R,5S)-3-((S)-2-allylhexanoyl)-4-methyl-5-phenyloxazolidin-2-one
CID 11109849
(4S)-4-Benzyl-3-[(2R,3S)-2,4-dimethyl-3-(trimethylsiloxy) pent-4-enoyl)]-oxazolidin-2-one
CID 53470471
(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 11050056

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 100943874) is 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](C(=O)N1CCOC1=O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is CRHRLGZPSDYECP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29NO4Si/c1-14(17(21)20-12-13-23-18(20)22)16(15-10-8-7-9-11-15)24-25(5,6)19(2,3)4/h7-11,14,16H,12-13H2,1-6H3/t14-,16+/m1/s1.
What are the key properties of 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 363.53 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100943874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).