(4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C29H50N2O4Si2 — CID 10506797

About (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10506797) has the molecular formula C29H50N2O4Si2 and a molecular weight of 546.90 g/mol. Its IUPAC name is (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 10506797
• Molecular Formula: C29H50N2O4Si2
• Molecular Weight: 546.90 g/mol
• Exact Mass: 546.33
• IUPAC Name: (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC(C)[Si](O[C@@H](C)[C@@H]1[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C29H50N2O4Si2/c1-19(2)37(20(3)4,21(5)6)35-22(7)25-26(27(32)31(25)36(11,12)29(8,9)10)30-24(18-34-28(30)33)23-16-14-13-15-17-23/h13-17,19-22,24-26H,18H2,1-12H3/t22-,24+,25+,26+/m0/s1
• InChIKey: SOLYXWZAEQGNQP-DZWGLGNASA-N
• XLogP: 7.35
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.90
LogP ≤ 5	7.35
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-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10506797) is (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)[Si](O[C@@H](C)[C@@H]1[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.

What is the InChIKey of (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is SOLYXWZAEQGNQP-DZWGLGNASA-N. The full InChI is InChI=1S/C29H50N2O4Si2/c1-19(2)37(20(3)4,21(5)6)35-22(7)25-26(27(32)31(25)36(11,12)29(8,9)10)30-24(18-34-28(30)33)23-16-14-13-15-17-23/h13-17,19-22,24-26H,18H2,1-12H3/t22-,24+,25+,26+/m0/s1.

What are the key properties of (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

(4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 546.90 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(3R,4S)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10506797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).