[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

C34H33N3O4 — CID 15951752

About [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone (PubChem CID 15951752) has the molecular formula C34H33N3O4 and a molecular weight of 547.66 g/mol. Its IUPAC name is [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

• Compound Name: [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
• PubChem CID: 15951752
• Molecular Formula: C34H33N3O4
• Molecular Weight: 547.66 g/mol
• Exact Mass: 547.25
• IUPAC Name: [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
• SMILES: COc1ccccc1-c1nc(Cn2c(C)c(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccccc32)c(C)o1
• InChI: InChI=1S/C34H33N3O4/c1-22-31(33(38)36-18-16-34(17-19-36)27-13-7-4-10-24(27)21-40-34)25-11-5-8-14-29(25)37(22)20-28-23(2)41-32(35-28)26-12-6-9-15-30(26)39-3/h4-15H,16-21H2,1-3H3
• InChIKey: YUSFUWAKHZVSEN-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 69.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.66
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?

The IUPAC name of [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone (CID 15951752) is [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone.

What is the SMILES notation for [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?

The canonical SMILES for [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone is COc1ccccc1-c1nc(Cn2c(C)c(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccccc32)c(C)o1.

What is the InChIKey of [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?

The InChIKey is YUSFUWAKHZVSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O4/c1-22-31(33(38)36-18-16-34(17-19-36)27-13-7-4-10-24(27)21-40-34)25-11-5-8-14-29(25)37(22)20-28-23(2)41-32(35-28)26-12-6-9-15-30(26)39-3/h4-15H,16-21H2,1-3H3.

What are the key properties of [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?

[1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 547.66 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 15951752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).