2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole

C35H36N2O2 — CID 169301869

About 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 169301869) has the molecular formula C35H36N2O2 and a molecular weight of 523.73 g/mol. Its IUPAC name is 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole
• PubChem CID: 169301869
• Molecular Formula: C35H36N2O2
• Molecular Weight: 523.73 g/mol
• Exact Mass: 523.32
• IUPAC Name: 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole
• SMILES: [2H]c1cc(CC(C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2cccc3c2oc2cc(C4=NC(C)(C)CO4)ccc23)ncc1C([2H])([2H])[2H]
• InChI: InChI=1S/C35H36N2O2/c1-21-15-23(18-34(3,4)5)11-13-25(21)29-17-30(36-19-22(29)2)28-10-8-9-27-26-14-12-24(16-31(26)39-32(27)28)33-37-35(6,7)20-38-33/h8-17,19H,18,20H2,1-7H3/i1D3,2D3,13D
• InChIKey: HLLXRJUWUUIWHS-GYDXGMDDSA-N
• XLogP: 9.08
• TPSA: 47.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.73
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole?

The IUPAC name of 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 169301869) is 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole.

What is the SMILES notation for 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole?

The canonical SMILES for 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole is [2H]c1cc(CC(C)(C)C)cc(C([2H])([2H])[2H])c1-c1cc(-c2cccc3c2oc2cc(C4=NC(C)(C)CO4)ccc23)ncc1C([2H])([2H])[2H].

What is the InChIKey of 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole?

The InChIKey is HLLXRJUWUUIWHS-GYDXGMDDSA-N. The full InChI is InChI=1S/C35H36N2O2/c1-21-15-23(18-34(3,4)5)11-13-25(21)29-17-30(36-19-22(29)2)28-10-8-9-27-26-14-12-24(16-31(26)39-32(27)28)33-37-35(6,7)20-38-33/h8-17,19H,18,20H2,1-7H3/i1D3,2D3,13D.

What are the key properties of 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole?

2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 523.73 g/mol, XLogP of 9.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-[2-deuterio-4-(2,2-dimethylpropyl)-6-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-3-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 169301869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).