(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C40H50N2O7Si — CID 58354301

About (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 58354301) has the molecular formula C40H50N2O7Si and a molecular weight of 698.93 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 58354301
• Molecular Formula: C40H50N2O7Si
• Molecular Weight: 698.93 g/mol
• Exact Mass: 698.34
• IUPAC Name: (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CCc1ccc(-c2ccc(CO[C@](C)(C(=O)N3C(=O)OC(C)(C)[C@@H]3c3ccccc3)[C@@H](O)c3cc(CO[Si](C)(C)C(C)(C)C)on3)cc2)cc1
• InChI: InChI=1S/C40H50N2O7Si/c1-10-27-16-20-29(21-17-27)30-22-18-28(19-23-30)25-46-40(7,35(43)33-24-32(49-41-33)26-47-50(8,9)38(2,3)4)36(44)42-34(31-14-12-11-13-15-31)39(5,6)48-37(42)45/h11-24,34-35,43H,10,25-26H2,1-9H3/t34-,35-,40-/m0/s1
• InChIKey: KTYYHEHXEBZDJJ-BVCQTOFBSA-N
• XLogP: 8.93
• TPSA: 111.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.93
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 58354301) is (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CCc1ccc(-c2ccc(CO[C@](C)(C(=O)N3C(=O)OC(C)(C)[C@@H]3c3ccccc3)[C@@H](O)c3cc(CO[Si](C)(C)C(C)(C)C)on3)cc2)cc1.

What is the InChIKey of (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is KTYYHEHXEBZDJJ-BVCQTOFBSA-N. The full InChI is InChI=1S/C40H50N2O7Si/c1-10-27-16-20-29(21-17-27)30-22-18-28(19-23-30)25-46-40(7,35(43)33-24-32(49-41-33)26-47-50(8,9)38(2,3)4)36(44)42-34(31-14-12-11-13-15-31)39(5,6)48-37(42)45/h11-24,34-35,43H,10,25-26H2,1-9H3/t34-,35-,40-/m0/s1.

What are the key properties of (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?

(4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 698.93 g/mol, XLogP of 8.93, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2S,3S)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazol-3-yl]-2-[[4-(4-ethylphenyl)phenyl]methoxy]-3-hydroxy-2-methylpropanoyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58354301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).