(4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one

C38H41NO5Si — CID 10908274

About (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 10908274) has the molecular formula C38H41NO5Si and a molecular weight of 619.83 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
• PubChem CID: 10908274
• Molecular Formula: C38H41NO5Si
• Molecular Weight: 619.83 g/mol
• Exact Mass: 619.28
• IUPAC Name: (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](OC[C@H](/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C38H41NO5Si/c1-38(2,3)45(34-20-12-6-13-21-34,35-22-14-7-15-23-35)44-29-33(42-27-31-18-10-5-11-19-31)24-25-36(40)39-32(28-43-37(39)41)26-30-16-8-4-9-17-30/h4-25,32-33H,26-29H2,1-3H3/b25-24+/t32-,33-/m0/s1
• InChIKey: OREGONGLVGLEFO-FCLIKSDBSA-N
• XLogP: 6.29
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.83
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one (CID 10908274) is (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](OC[C@H](/C=C/C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)OCc1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one?

The InChIKey is OREGONGLVGLEFO-FCLIKSDBSA-N. The full InChI is InChI=1S/C38H41NO5Si/c1-38(2,3)45(34-20-12-6-13-21-34,35-22-14-7-15-23-35)44-29-33(42-27-31-18-10-5-11-19-31)24-25-36(40)39-32(28-43-37(39)41)26-30-16-8-4-9-17-30/h4-25,32-33H,26-29H2,1-3H3/b25-24+/t32-,33-/m0/s1.

What are the key properties of (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one?

(4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 619.83 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10908274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).