(4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C33H42N2O4Si2 — CID 10531417

About (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10531417) has the molecular formula C33H42N2O4Si2 and a molecular weight of 586.88 g/mol. Its IUPAC name is (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 10531417
• Molecular Formula: C33H42N2O4Si2
• Molecular Weight: 586.88 g/mol
• Exact Mass: 586.27
• IUPAC Name: (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1[Si](C)(C)C
• InChI: InChI=1S/C33H42N2O4Si2/c1-24(39-41(33(2,3)4,26-19-13-9-14-20-26)27-21-15-10-16-22-27)29-30(31(36)35(29)40(5,6)7)34-28(23-38-32(34)37)25-17-11-8-12-18-25/h8-22,24,28-30H,23H2,1-7H3/t24-,28+,29-,30-/m0/s1
• InChIKey: WVLWMSMEKKJIMY-XPSCAIQQSA-N
• XLogP: 5.56
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.88
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10531417) is (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1[Si](C)(C)C.

What is the InChIKey of (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is WVLWMSMEKKJIMY-XPSCAIQQSA-N. The full InChI is InChI=1S/C33H42N2O4Si2/c1-24(39-41(33(2,3)4,26-19-13-9-14-20-26)27-21-15-10-16-22-27)29-30(31(36)35(29)40(5,6)7)34-28(23-38-32(34)37)25-17-11-8-12-18-25/h8-22,24,28-30H,23H2,1-7H3/t24-,28+,29-,30-/m0/s1.

What are the key properties of (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

(4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 586.88 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2R,3S)-2-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxo-1-trimethylsilylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10531417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).