methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate

C33H38N2O4Si — CID 52951827

About methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate

methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (PubChem CID 52951827) has the molecular formula C33H38N2O4Si and a molecular weight of 554.76 g/mol. Its IUPAC name is methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
• PubChem CID: 52951827
• Molecular Formula: C33H38N2O4Si
• Molecular Weight: 554.76 g/mol
• Exact Mass: 554.26
• IUPAC Name: methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
• SMILES: COC(=O)c1cccc(-c2cnc(C(O[Si](C)(C)C(C)(C)C)C3CCc4cc(-c5ccccc5)ccc4C3)o2)n1
• InChI: InChI=1S/C33H38N2O4Si/c1-33(2,3)40(5,6)39-30(31-34-21-29(38-31)27-13-10-14-28(35-27)32(36)37-4)26-18-17-24-19-23(15-16-25(24)20-26)22-11-8-7-9-12-22/h7-16,19,21,26,30H,17-18,20H2,1-6H3
• InChIKey: FJFYXCFYNBWOBD-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 74.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.76
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?

The IUPAC name of methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate (CID 52951827) is methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?

The canonical SMILES for methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cnc(C(O[Si](C)(C)C(C)(C)C)C3CCc4cc(-c5ccccc5)ccc4C3)o2)n1.

What is the InChIKey of methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?

The InChIKey is FJFYXCFYNBWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O4Si/c1-33(2,3)40(5,6)39-30(31-34-21-29(38-31)27-13-10-14-28(35-27)32(36)37-4)26-18-17-24-19-23(15-16-25(24)20-26)22-11-8-7-9-12-22/h7-16,19,21,26,30H,17-18,20H2,1-6H3.

What are the key properties of methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate?

methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate has a molecular weight of 554.76 g/mol, XLogP of 8.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[2-[[tert-butyl(dimethyl)silyl]oxy-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 52951827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).