(4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one

C22H33NO3Si — CID 57341166

About (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one (PubChem CID 57341166) has the molecular formula C22H33NO3Si and a molecular weight of 387.60 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one
• PubChem CID: 57341166
• Molecular Formula: C22H33NO3Si
• Molecular Weight: 387.60 g/mol
• Exact Mass: 387.22
• IUPAC Name: (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one
• SMILES: C/C=C\C(C)=C(\O[Si](C)(C)C(C)(C)C)N1C(=O)OC[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C22H33NO3Si/c1-8-12-17(2)20(26-27(6,7)22(3,4)5)23-19(16-25-21(23)24)15-18-13-10-9-11-14-18/h8-14,19H,15-16H2,1-7H3/b12-8-,20-17+/t19-/m0/s1
• InChIKey: LZEIYVMNMCFTBI-GXWPJLSVSA-N
• XLogP: 5.88
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.60
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one (CID 57341166) is (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one is C/C=C\C(C)=C(\O[Si](C)(C)C(C)(C)C)N1C(=O)OC[C@@H]1Cc1ccccc1.

What is the InChIKey of (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one?

The InChIKey is LZEIYVMNMCFTBI-GXWPJLSVSA-N. The full InChI is InChI=1S/C22H33NO3Si/c1-8-12-17(2)20(26-27(6,7)22(3,4)5)23-19(16-25-21(23)24)15-18-13-10-9-11-14-18/h8-14,19H,15-16H2,1-7H3/b12-8-,20-17+/t19-/m0/s1.

What are the key properties of (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one?

(4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 387.60 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(1E,3Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpenta-1,3-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57341166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).