1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol

C27H25N3O5 — CID 22729230

About 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol

1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol (PubChem CID 22729230) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
• PubChem CID: 22729230
• Molecular Formula: C27H25N3O5
• Molecular Weight: 471.51 g/mol
• Exact Mass: 471.18
• IUPAC Name: 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
• SMILES: Cc1nnc(-c2cc3c(OCC(O)CN4CC=C(c5ccc6occc6c5)CC4)cccc3o2)o1
• InChI: InChI=1S/C27H25N3O5/c1-17-28-29-27(34-17)26-14-22-24(3-2-4-25(22)35-26)33-16-21(31)15-30-10-7-18(8-11-30)19-5-6-23-20(13-19)9-12-32-23/h2-7,9,12-14,21,31H,8,10-11,15-16H2,1H3
• InChIKey: XSRZEWUCJYZMSH-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 97.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.51
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol?

The IUPAC name of 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol (CID 22729230) is 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol.

What is the SMILES notation for 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol?

The canonical SMILES for 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol is Cc1nnc(-c2cc3c(OCC(O)CN4CC=C(c5ccc6occc6c5)CC4)cccc3o2)o1.

What is the InChIKey of 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol?

The InChIKey is XSRZEWUCJYZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-28-29-27(34-17)26-14-22-24(3-2-4-25(22)35-26)33-16-21(31)15-30-10-7-18(8-11-30)19-5-6-23-20(13-19)9-12-32-23/h2-7,9,12-14,21,31H,8,10-11,15-16H2,1H3.

What are the key properties of 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol?

1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol has a molecular weight of 471.51 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1-benzofuran-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol is sourced from PubChem (CID 22729230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).