tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate

C36H46N2O6Si — CID 101175354

About tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate

tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate (PubChem CID 101175354) has the molecular formula C36H46N2O6Si and a molecular weight of 630.86 g/mol. Its IUPAC name is tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate
• PubChem CID: 101175354
• Molecular Formula: C36H46N2O6Si
• Molecular Weight: 630.86 g/mol
• Exact Mass: 630.31
• IUPAC Name: tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate
• SMILES: C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C36H46N2O6Si/c1-26(24-43-45(36(5,6)7,28-19-13-9-14-20-28)29-21-15-10-16-22-29)23-30(37-33(40)44-35(2,3)4)32(39)38-31(25-42-34(38)41)27-17-11-8-12-18-27/h8-22,26,30-31H,23-25H2,1-7H3,(H,37,40)/t26-,30+,31-/m1/s1
• InChIKey: VFELQMQTBQAQAE-SATCGAIXSA-N
• XLogP: 6.20
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.86
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
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 tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate (CID 101175354) is tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1c1ccccc1.

What is the InChIKey of tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate?

The InChIKey is VFELQMQTBQAQAE-SATCGAIXSA-N. The full InChI is InChI=1S/C36H46N2O6Si/c1-26(24-43-45(36(5,6)7,28-19-13-9-14-20-28)29-21-15-10-16-22-29)23-30(37-33(40)44-35(2,3)4)32(39)38-31(25-42-34(38)41)27-17-11-8-12-18-27/h8-22,26,30-31H,23-25H2,1-7H3,(H,37,40)/t26-,30+,31-/m1/s1.

What are the key properties of tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate?

tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate has a molecular weight of 630.86 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-1-oxo-1-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentan-2-yl]carbamate is sourced from PubChem (CID 101175354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).