(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C26H36N2O3Si2 — CID 15511548

IUPAC(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C(N1C[C@@](Cc2ccccc2)(N2C(=O)OC[C@@H]2c2ccccc2)C1=O)[Si](C)(C)C
InChIInChI=1S/C26H36N2O3Si2/c1-32(2,3)25(33(4,5)6)27-19-26(23(27)29,17-20-13-9-7-10-14-20)28-22(18-31-24(28)30)21-15-11-8-12-16-21/h7-16,22,25H,17-19H2,1-6H3/t22-,26-/m1/s1
InChIKeySWPDGSWVMTUTFJ-ATIYNZHBSA-N
MW480.76 g/mol
LogP5.13
Rot. Bonds7

About (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 15511548) has the molecular formula C26H36N2O3Si2 and a molecular weight of 480.76 g/mol. Its IUPAC name is (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID15511548
Molecular FormulaC26H36N2O3Si2
Molecular Weight480.76 g/mol
Exact Mass480.23
IUPAC Name(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C(N1C[C@@](Cc2ccccc2)(N2C(=O)OC[C@@H]2c2ccccc2)C1=O)[Si](C)(C)C
InChIInChI=1S/C26H36N2O3Si2/c1-32(2,3)25(33(4,5)6)27-19-26(23(27)29,17-20-13-9-7-10-14-20)28-22(18-31-24(28)30)21-15-11-8-12-16-21/h7-16,22,25H,17-19H2,1-6H3/t22-,26-/m1/s1
InChIKeySWPDGSWVMTUTFJ-ATIYNZHBSA-N
XLogP5.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.76
LogP ≤ 55.13
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

2-(trimethylsilyl)ethyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428423
(S)-3-((3S,4R)-1-((S)-4-methyl-1-oxo-1-(4-(2-(piperidin-1-yl)ethyl)piperidin-1-yl)pentan-2-yl)-2-oxo-4-((E)-styryl)azetidin-3-yl)-4-phenyloxazolidin-2-one
CID 44428425
(S)-3-((3S,4R)-1-((S)-4-methyl-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)pentan-2-yl)-2-oxo-4-((E)-styryl)azetidin-3-yl)-4-phenyloxazolidin-2-one
CID 44428426
(S)-N-benzyl-4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanamide
CID 44428427
N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935
(4S)-4-phenyl-3-[(3R)-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 10267335
(4S)-3-[(3R)-1-[bis(trimethylsilyl)methyl]-3-ethyl-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 15511544
(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
(2S,3S)-1-benzyl-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidine-2-carbaldehyde
CID 10665536
methyl (2S)-2-[[(2R)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]-2-methyl-3-phenylpropanoate
CID 388574
(2S)-4-methyl-2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]pentanoyl fluoride
CID 173201275
(4S)-3-[(3S)-1-[bis-(trimethylsilyl)-methyl]-2,2-dimethyl-4-oxo-azetidin-3-yl]-4-phenyl-oxazolidin-2-one
CID 11796311

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 15511548) is (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is C[Si](C)(C)C(N1C[C@@](Cc2ccccc2)(N2C(=O)OC[C@@H]2c2ccccc2)C1=O)[Si](C)(C)C.
What is the InChIKey of (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SWPDGSWVMTUTFJ-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H36N2O3Si2/c1-32(2,3)25(33(4,5)6)27-19-26(23(27)29,17-20-13-9-7-10-14-20)28-22(18-31-24(28)30)21-15-11-8-12-16-21/h7-16,22,25H,17-19H2,1-6H3/t22-,26-/m1/s1.
What are the key properties of (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 480.76 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15511548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).