(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide

C28H33F3N4O5Si — CID 162478325

About (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide

(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 162478325) has the molecular formula C28H33F3N4O5Si and a molecular weight of 590.68 g/mol. Its IUPAC name is (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide
• PubChem CID: 162478325
• Molecular Formula: C28H33F3N4O5Si
• Molecular Weight: 590.68 g/mol
• Exact Mass: 590.22
• IUPAC Name: (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide
• SMILES: COc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4ccccc34)[C@H]2CO[Si](C)(C)C(C)(C)C)n1
• InChI: InChI=1S/C28H33F3N4O5Si/c1-27(2,3)41(5,6)39-16-22-24(21-11-19(28(29,30)31)12-23(34-21)38-4)40-26(37)35(22)25(36)33-15-18-14-32-13-17-9-7-8-10-20(17)18/h7-14,22,24H,15-16H2,1-6H3,(H,33,36)/t22-,24+/m0/s1
• InChIKey: SEJUQEKOHIUGOJ-LADGPHEKSA-N
• XLogP: 6.45
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.68
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide?

The IUPAC name of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 162478325) is (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

What is the SMILES notation for (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide?

The canonical SMILES for (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide is COc1cc(C(F)(F)F)cc([C@H]2OC(=O)N(C(=O)NCc3cncc4ccccc34)[C@H]2CO[Si](C)(C)C(C)(C)C)n1.

What is the InChIKey of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide?

The InChIKey is SEJUQEKOHIUGOJ-LADGPHEKSA-N. The full InChI is InChI=1S/C28H33F3N4O5Si/c1-27(2,3)41(5,6)39-16-22-24(21-11-19(28(29,30)31)12-23(34-21)38-4)40-26(37)35(22)25(36)33-15-18-14-32-13-17-9-7-8-10-20(17)18/h7-14,22,24H,15-16H2,1-6H3,(H,33,36)/t22-,24+/m0/s1.

What are the key properties of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide?

(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 590.68 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(isoquinolin-4-ylmethyl)-5-[6-methoxy-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 162478325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).