3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one

C38H41NO4Si — CID 139254691

IUPAC3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C(=O)[C@H](C1CCCCC1)[C@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C38H41NO4Si/c1-38(2)28-42-37(41)39(38)36(40)34(29-18-8-3-9-19-29)35(30-20-10-4-11-21-30)43-44(31-22-12-5-13-23-31,32-24-14-6-15-25-32)33-26-16-7-17-27-33/h4-7,10-17,20-27,29,34-35H,3,8-9,18-19,28H2,1-2H3/t34-,35-/m1/s1
InChIKeyQGOCOCOBECQEDX-VSJLXWSYSA-N
MW603.84 g/mol
LogP6.37
Rot. Bonds9

About 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 139254691) has the molecular formula C38H41NO4Si and a molecular weight of 603.84 g/mol. Its IUPAC name is 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID139254691
Molecular FormulaC38H41NO4Si
Molecular Weight603.84 g/mol
Exact Mass603.28
IUPAC Name3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C(=O)[C@H](C1CCCCC1)[C@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C38H41NO4Si/c1-38(2)28-42-37(41)39(38)36(40)34(29-18-8-3-9-19-29)35(30-20-10-4-11-21-30)43-44(31-22-12-5-13-23-31,32-24-14-6-15-25-32)33-26-16-7-17-27-33/h4-7,10-17,20-27,29,34-35H,3,8-9,18-19,28H2,1-2H3/t34-,35-/m1/s1
InChIKeyQGOCOCOBECQEDX-VSJLXWSYSA-N
XLogP6.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.84
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(4R)-4-benzyl-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 58697527
(4S)-4-benzyl-3-[(1R,2S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-2-(3-phenylmethoxypropyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 53391476
3-[(2R,3S)-2,3-diphenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 101522539
(4S)-4-benzyl-3-[(2S)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(S)-hydroxy(phenyl)methyl]hexanoyl]-1,3-oxazolidin-2-one
CID 134865641
(4S)-4-benzyl-3-[(2S)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(S)-hydroxy(naphthalen-1-yl)methyl]hexanoyl]-1,3-oxazolidin-2-one
CID 134865703
4,4-dimethyl-3-[(2R,3R)-2-phenyl-3-triphenylsilyloxynonanoyl]-1,3-oxazolidin-2-one
CID 139254690
(4S)-4-benzyl-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
CID 11813801
(R)-4-benzyl-3-((2S,3R)-3-((tert-butyldimethylsilyl)oxy)-2-methyl-3-phenylbutanoyl)oxazolidin-2-one
CID 131746615
(S)-4-benzyl-3-((S)-3-((tert-butyldimethylsilyl)oxy)-3-phenylbutanoyl)oxazolidin-2-one
CID 131746618
(4S)-4-benzyl-3-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-trityloxypentanoyl]-1,3-oxazolidin-2-one
CID 140519869
(4S)-4-benzyl-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 168979584

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 139254691) is 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1C(=O)[C@H](C1CCCCC1)[C@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is QGOCOCOBECQEDX-VSJLXWSYSA-N. The full InChI is InChI=1S/C38H41NO4Si/c1-38(2)28-42-37(41)39(38)36(40)34(29-18-8-3-9-19-29)35(30-20-10-4-11-21-30)43-44(31-22-12-5-13-23-31,32-24-14-6-15-25-32)33-26-16-7-17-27-33/h4-7,10-17,20-27,29,34-35H,3,8-9,18-19,28H2,1-2H3/t34-,35-/m1/s1.
What are the key properties of 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 603.84 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-2-cyclohexyl-3-phenyl-3-triphenylsilyloxypropanoyl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139254691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).