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

C21H34N2O3Si2 — CID 11796311

IUPAC(4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C21H34N2O3Si2/c1-21(2)17(18(24)23(21)20(27(3,4)5)28(6,7)8)22-16(14-26-19(22)25)15-12-10-9-11-13-15/h9-13,16-17,20H,14H2,1-8H3/t16-,17-/m1/s1
InChIKeyZLMWGHFABFNMSH-IAGOWNOFSA-N
MW418.69 g/mol
LogP4.29
Rot. Bonds5

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

(4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11796311) has the molecular formula C21H34N2O3Si2 and a molecular weight of 418.69 g/mol. Its IUPAC name is (4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11796311
Molecular FormulaC21H34N2O3Si2
Molecular Weight418.69 g/mol
Exact Mass418.21
IUPAC Name(4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C21H34N2O3Si2/c1-21(2)17(18(24)23(21)20(27(3,4)5)28(6,7)8)22-16(14-26-19(22)25)15-12-10-9-11-13-15/h9-13,16-17,20H,14H2,1-8H3/t16-,17-/m1/s1
InChIKeyZLMWGHFABFNMSH-IAGOWNOFSA-N
XLogP4.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.69
LogP ≤ 54.29
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)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 11796311) is (4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of (4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ZLMWGHFABFNMSH-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H34N2O3Si2/c1-21(2)17(18(24)23(21)20(27(3,4)5)28(6,7)8)22-16(14-26-19(22)25)15-12-10-9-11-13-15/h9-13,16-17,20H,14H2,1-8H3/t16-,17-/m1/s1.
What are the key properties of (4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 418.69 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S)-1-[bis(trimethylsilyl)methyl]-2,2-dimethyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11796311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).