(4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one

C32H39NO4Si — CID 101174120

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

(4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101174120) has the molecular formula C32H39NO4Si and a molecular weight of 529.75 g/mol. Its IUPAC name is (4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 101174120
• Molecular Formula: C32H39NO4Si
• Molecular Weight: 529.75 g/mol
• Exact Mass: 529.26
• IUPAC Name: (4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CC(=O)N1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C32H39NO4Si/c1-24(21-30(34)33-29(23-36-31(33)35)26-15-9-6-10-16-26)25(2)22-37-38(32(3,4)5,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,24-25,29H,21-23H2,1-5H3/t24-,25-,29+/m0/s1
• InChIKey: JVYWEGAYXRDBBJ-IALVYGIMSA-N
• XLogP: 5.95
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.75
LogP ≤ 5	5.95
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-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 101174120) is (4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CC(=O)N1C(=O)OC[C@@H]1c1ccccc1.

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

The InChIKey is JVYWEGAYXRDBBJ-IALVYGIMSA-N. The full InChI is InChI=1S/C32H39NO4Si/c1-24(21-30(34)33-29(23-36-31(33)35)26-15-9-6-10-16-26)25(2)22-37-38(32(3,4)5,27-17-11-7-12-18-27)28-19-13-8-14-20-28/h6-20,24-25,29H,21-23H2,1-5H3/t24-,25-,29+/m0/s1.

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

(4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 529.75 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dimethylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101174120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).