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

C39H54N2O4Si2 — CID 10580324

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

(4S)-3-[(3S,4R)-1-[tert-butyl(diphenyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10580324) has the molecular formula C39H54N2O4Si2 and a molecular weight of 671.04 g/mol. Its IUPAC name is (4S)-3-[(3S,4R)-1-[tert-butyl(diphenyl)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-[(3S,4R)-1-[tert-butyl(diphenyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 10580324
• Molecular Formula: C39H54N2O4Si2
• Molecular Weight: 671.04 g/mol
• Exact Mass: 670.36
• IUPAC Name: (4S)-3-[(3S,4R)-1-[tert-butyl(diphenyl)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](c1ccccc1)(c1ccccc1)C(C)(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C39H54N2O4Si2/c1-27(2)46(28(3)4,29(5)6)45-30(7)35-36(40-34(26-44-38(40)43)31-20-14-11-15-21-31)37(42)41(35)47(39(8,9)10,32-22-16-12-17-23-32)33-24-18-13-19-25-33/h11-25,27-30,34-36H,26H2,1-10H3/t30-,34+,35-,36-/m0/s1
• InChIKey: TZJDFVTXERRUHL-UZRHWKSDSA-N
• XLogP: 7.90
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.04
LogP ≤ 5	7.90
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-[(3S,4R)-1-[tert-butyl(diphenyl)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-[(3S,4R)-1-[tert-butyl(diphenyl)silyl]-2-oxo-4-[(1S)-1-tri(propan-2-yl)silyloxyethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10580324) is (4S)-3-[(3S,4R)-1-[tert-butyl(diphenyl)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-[(3S,4R)-1-[tert-butyl(diphenyl)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-[(3S,4R)-1-[tert-butyl(diphenyl)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](c1ccccc1)(c1ccccc1)C(C)(C)C)(C(C)C)C(C)C.

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

The InChIKey is TZJDFVTXERRUHL-UZRHWKSDSA-N. The full InChI is InChI=1S/C39H54N2O4Si2/c1-27(2)46(28(3)4,29(5)6)45-30(7)35-36(40-34(26-44-38(40)43)31-20-14-11-15-21-31)37(42)41(35)47(39(8,9)10,32-22-16-12-17-23-32)33-24-18-13-19-25-33/h11-25,27-30,34-36H,26H2,1-10H3/t30-,34+,35-,36-/m0/s1.

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

(4S)-3-[(3S,4R)-1-[tert-butyl(diphenyl)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 671.04 g/mol, XLogP of 7.90, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(3S,4R)-1-[tert-butyl(diphenyl)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 10580324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).