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

C33H42N2O3Si2 — CID 68621346

IUPAC(4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCC1N(C([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@]1(Cc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C33H42N2O3Si2/c1-24-33(23-25-17-11-8-12-18-25,30(36)34(24)32(39(2,3)4)40(5,6)7)35-28(26-19-13-9-14-20-26)29(38-31(35)37)27-21-15-10-16-22-27/h8-22,24,28-29,32H,23H2,1-7H3/t24?,28-,29+,33+/m0/s1
InChIKeyBRUDLAPQVWNAOF-VCKBFETRSA-N
MW570.88 g/mol
LogP7.26
Rot. Bonds8

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

(4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 68621346) has the molecular formula C33H42N2O3Si2 and a molecular weight of 570.88 g/mol. Its IUPAC name is (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID68621346
Molecular FormulaC33H42N2O3Si2
Molecular Weight570.88 g/mol
Exact Mass570.27
IUPAC Name(4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCC1N(C([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@]1(Cc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C33H42N2O3Si2/c1-24-33(23-25-17-11-8-12-18-25,30(36)34(24)32(39(2,3)4)40(5,6)7)35-28(26-19-13-9-14-20-26)29(38-31(35)37)27-21-15-10-16-22-27/h8-22,24,28-29,32H,23H2,1-7H3/t24?,28-,29+,33+/m0/s1
InChIKeyBRUDLAPQVWNAOF-VCKBFETRSA-N
XLogP7.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.88
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 68621346) is (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is CC1N(C([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@]1(Cc1ccccc1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is BRUDLAPQVWNAOF-VCKBFETRSA-N. The full InChI is InChI=1S/C33H42N2O3Si2/c1-24-33(23-25-17-11-8-12-18-25,30(36)34(24)32(39(2,3)4)40(5,6)7)35-28(26-19-13-9-14-20-26)29(38-31(35)37)27-21-15-10-16-22-27/h8-22,24,28-29,32H,23H2,1-7H3/t24?,28-,29+,33+/m0/s1.
What are the key properties of (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 570.88 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(3R)-3-benzyl-1-[bis(trimethylsilyl)methyl]-2-methyl-4-oxoazetidin-3-yl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 68621346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).