(4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C27H36N2O4Si — CID 10600786

About (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10600786) has the molecular formula C27H36N2O4Si and a molecular weight of 480.68 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 10600786
• Molecular Formula: C27H36N2O4Si
• Molecular Weight: 480.68 g/mol
• Exact Mass: 480.24
• IUPAC Name: (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C27H36N2O4Si/c1-19(33-34(5,6)27(2,3)4)23-24(25(30)28(23)17-20-13-9-7-10-14-20)29-22(18-32-26(29)31)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19-,22+,23+,24-/m0/s1
• InChIKey: UANQUGPTOOVAGU-QVGHQYEOSA-N
• XLogP: 5.37
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.68
LogP ≤ 5	5.37
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-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10600786) is (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1.

What is the InChIKey of (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is UANQUGPTOOVAGU-QVGHQYEOSA-N. The full InChI is InChI=1S/C27H36N2O4Si/c1-19(33-34(5,6)27(2,3)4)23-24(25(30)28(23)17-20-13-9-7-10-14-20)29-22(18-32-26(29)31)21-15-11-8-12-16-21/h7-16,19,22-24H,17-18H2,1-6H3/t19-,22+,23+,24-/m0/s1.

What are the key properties of (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

(4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 480.68 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2S,3S)-1-benzyl-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10600786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).