(4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one

C25H41NO4Si — CID 54768060

About (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one (PubChem CID 54768060) has the molecular formula C25H41NO4Si and a molecular weight of 447.69 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
• PubChem CID: 54768060
• Molecular Formula: C25H41NO4Si
• Molecular Weight: 447.69 g/mol
• Exact Mass: 447.28
• IUPAC Name: (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H41NO4Si/c1-19(15-20(2)17-30-31(6,7)25(3,4)5)13-14-23(27)26-22(18-29-24(26)28)16-21-11-9-8-10-12-21/h8-12,19-20,22H,13-18H2,1-7H3/t19-,20-,22+/m1/s1
• InChIKey: BZILXABGHDCMAM-SJBKTWHCSA-N
• XLogP: 6.04
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.69
LogP ≤ 5	6.04
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)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one (CID 54768060) is (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one is C[C@H](CCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?

The InChIKey is BZILXABGHDCMAM-SJBKTWHCSA-N. The full InChI is InChI=1S/C25H41NO4Si/c1-19(15-20(2)17-30-31(6,7)25(3,4)5)13-14-23(27)26-22(18-29-24(26)28)16-21-11-9-8-10-12-21/h8-12,19-20,22H,13-18H2,1-7H3/t19-,20-,22+/m1/s1.

What are the key properties of (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one?

(4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one has a molecular weight of 447.69 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylheptanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54768060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).