3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one

C35H37NO6Si — CID 174059847

About 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one

3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 174059847) has the molecular formula C35H37NO6Si and a molecular weight of 595.77 g/mol. Its IUPAC name is 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 174059847
• Molecular Formula: C35H37NO6Si
• Molecular Weight: 595.77 g/mol
• Exact Mass: 595.24
• IUPAC Name: 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: COc1cc(CC(=O)N2C(=O)OCC2c2ccccc2)cc(OC)c1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C35H37NO6Si/c1-35(2,3)43(27-17-11-7-12-18-27,28-19-13-8-14-20-28)42-33-30(39-4)21-25(22-31(33)40-5)23-32(37)36-29(24-41-34(36)38)26-15-9-6-10-16-26/h6-22,29H,23-24H2,1-5H3
• InChIKey: GLIODYSAMHJTAM-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 74.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.77
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one (CID 174059847) is 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one is COc1cc(CC(=O)N2C(=O)OCC2c2ccccc2)cc(OC)c1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is GLIODYSAMHJTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37NO6Si/c1-35(2,3)43(27-17-11-7-12-18-27,28-19-13-8-14-20-28)42-33-30(39-4)21-25(22-31(33)40-5)23-32(37)36-29(24-41-34(36)38)26-15-9-6-10-16-26/h6-22,29H,23-24H2,1-5H3.

What are the key properties of 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one?

3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 595.77 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethoxyphenyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 174059847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).