(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

C33H50N2O3Si2 — CID 101366359

IUPAC(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCCC[C@]1(N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)[C@@H]1CC(C)C
InChIInChI=1S/C33H50N2O3Si2/c1-10-11-22-33(27(23-24(2)3)34(30(33)36)32(39(4,5)6)40(7,8)9)35-28(25-18-14-12-15-19-25)29(38-31(35)37)26-20-16-13-17-21-26/h12-21,24,27-29,32H,10-11,22-23H2,1-9H3/t27-,28+,29-,33-/m1/s1
InChIKeyKWYNQGSMXLTMQV-VGBJTSDXSA-N
MW578.95 g/mol
LogP8.23
Rot. Bonds11

About (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 101366359) has the molecular formula C33H50N2O3Si2 and a molecular weight of 578.95 g/mol. Its IUPAC name is (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID101366359
Molecular FormulaC33H50N2O3Si2
Molecular Weight578.95 g/mol
Exact Mass578.34
IUPAC Name(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCCC[C@]1(N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)[C@@H]1CC(C)C
InChIInChI=1S/C33H50N2O3Si2/c1-10-11-22-33(27(23-24(2)3)34(30(33)36)32(39(4,5)6)40(7,8)9)35-28(25-18-14-12-15-19-25)29(38-31(35)37)26-20-16-13-17-21-26/h12-21,24,27-29,32H,10-11,22-23H2,1-9H3/t27-,28+,29-,33-/m1/s1
InChIKeyKWYNQGSMXLTMQV-VGBJTSDXSA-N
XLogP8.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.95
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4,4-dimethyl-3-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanoate
CID 44428416
benzyl 2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428418
(S)-benzyl 4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanoate
CID 44428420
benzyl 4,4-dimethyl-3-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-phenethylazetidin-1-yl)pentanoate
CID 44428413
(4S)-3-[(3R)-1-[bis(trimethylsilyl)methyl]-3-ethyl-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511544
(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511548
(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-propan-2-ylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101366356
(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-2-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 23251080
(4S,5R)-3-((2R,3R)-2,3-Dimethyl-hexanoyl)-4,5-diphenyl-oxazolidin-2-one
CID 25232465
(4S)-3-[(3S)-1-[bis-(trimethylsilyl)-methyl]-2,2-dimethyl-4-oxo-azetidin-3-yl]-4-phenyl-oxazolidin-2-one
CID 11796311
benzyl N-benzyl-N-[(3R,4R)-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
CID 11375682
(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-isobutyl-3-[(4S)-4-phenyl-2-oxo-1,3-oxazolidin-3-yl]-azetidin-2-one
CID 12111494

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 101366359) is (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is CCCC[C@]1(N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)[C@@H]1CC(C)C.
What is the InChIKey of (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is KWYNQGSMXLTMQV-VGBJTSDXSA-N. The full InChI is InChI=1S/C33H50N2O3Si2/c1-10-11-22-33(27(23-24(2)3)34(30(33)36)32(39(4,5)6)40(7,8)9)35-28(25-18-14-12-15-19-25)29(38-31(35)37)26-20-16-13-17-21-26/h12-21,24,27-29,32H,10-11,22-23H2,1-9H3/t27-,28+,29-,33-/m1/s1.
What are the key properties of (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 578.95 g/mol, XLogP of 8.23, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(2R,3R)-1-[bis(trimethylsilyl)methyl]-3-butyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101366359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).