(4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one

C25H33NO4Si — CID 102297158

About (4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one (PubChem CID 102297158) has the molecular formula C25H33NO4Si and a molecular weight of 439.63 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one
• PubChem CID: 102297158
• Molecular Formula: C25H33NO4Si
• Molecular Weight: 439.63 g/mol
• Exact Mass: 439.22
• IUPAC Name: (4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)O/C(=C\OCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C25H33NO4Si/c1-25(2,3)31(4,5)30-23(19-28-17-21-14-10-7-11-15-21)26-22(18-29-24(26)27)16-20-12-8-6-9-13-20/h6-15,19,22H,16-18H2,1-5H3/b23-19-/t22-/m1/s1
• InChIKey: MBBUZNUYYIPDJV-SXKPWUIASA-N
• XLogP: 6.09
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.63
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one (CID 102297158) is (4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)O/C(=C\OCc1ccccc1)N1C(=O)OC[C@H]1Cc1ccccc1.

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

The InChIKey is MBBUZNUYYIPDJV-SXKPWUIASA-N. The full InChI is InChI=1S/C25H33NO4Si/c1-25(2,3)31(4,5)30-23(19-28-17-21-14-10-7-11-15-21)26-22(18-29-24(26)27)16-20-12-8-6-9-13-20/h6-15,19,22H,16-18H2,1-5H3/b23-19-/t22-/m1/s1.

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

(4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one has a molecular weight of 439.63 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102297158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).