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

C26H34FNO4Si — CID 59839610

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

(4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 59839610) has the molecular formula C26H34FNO4Si and a molecular weight of 471.65 g/mol. Its IUPAC name is (4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 59839610
• Molecular Formula: C26H34FNO4Si
• Molecular Weight: 471.65 g/mol
• Exact Mass: 471.22
• IUPAC Name: (4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)O[C@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1
• InChI: InChI=1S/C26H34FNO4Si/c1-26(2,3)33(4,5)32-23(20-14-16-21(27)17-15-20)12-9-13-24(29)28-22(18-31-25(28)30)19-10-7-6-8-11-19/h6-8,10-11,14-17,22-23H,9,12-13,18H2,1-5H3/t22-,23-/m1/s1
• InChIKey: CQXYQHZDPOQVGG-DHIUTWEWSA-N
• XLogP: 6.78
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.65
LogP ≤ 5	6.78
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-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 59839610) is (4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1.

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

The InChIKey is CQXYQHZDPOQVGG-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H34FNO4Si/c1-26(2,3)33(4,5)32-23(20-14-16-21(27)17-15-20)12-9-13-24(29)28-22(18-31-25(28)30)19-10-7-6-8-11-19/h6-8,10-11,14-17,22-23H,9,12-13,18H2,1-5H3/t22-,23-/m1/s1.

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

(4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 471.65 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-fluorophenyl)pentanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59839610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).