2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole

C92H78F3N15O6 — CID 162259136

About 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole

2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole (PubChem CID 162259136) has the molecular formula C92H78F3N15O6 and a molecular weight of 1546.73 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• PubChem CID: 162259136
• Molecular Formula: C92H78F3N15O6
• Molecular Weight: 1546.73 g/mol
• Exact Mass: 1545.62
• IUPAC Name: 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole
• SMILES: COc1cccc(F)c1CN1CCC[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccc6c(c5)C=CC6)c4c3)o2)C1.Fc1cccc(F)c1CN1CCC[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccc6c(c5)C=CC6)c4c3)o2)C1.c1ccc2oc(CN3CCC[C@@H](c4nnc(-c5ccc6[nH]nc(-c7ccc8occc8c7)c6c5)o4)C3)cc2c1
• InChI: InChI=1S/C31H28FN5O2.C31H25N5O3.C30H25F2N5O/c1-38-28-9-3-8-26(32)25(28)18-37-14-4-7-23(17-37)31-36-35-30(39-31)22-12-13-27-24(16-22)29(34-33-27)21-11-10-19-5-2-6-20(19)15-21;1-2-6-28-19(4-1)15-24(38-28)18-36-12-3-5-23(17-36)31-35-34-30(39-31)22-7-9-26-25(16-22)29(33-32-26)21-8-10-27-20(14-21)11-13-37-27;31-25-7-2-8-26(32)24(25)17-37-13-3-6-22(16-37)30-36-35-29(38-30)21-11-12-27-23(15-21)28(34-33-27)20-10-9-18-4-1-5-19(18)14-20/h2-3,6,8-13,15-16,23H,4-5,7,14,17-18H2,1H3,(H,33,34);1-2,4,6-11,13-16,23H,3,5,12,17-18H2,(H,32,33);1-2,5,7-12,14-15,22H,3-4,6,13,16-17H2,(H,33,34)/t2*23-;22-/m111/s1
• InChIKey: ZYZOHUIXNJJTDP-VGJFPNGESA-N
• XLogP: 20.04
• TPSA: 248.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1546.73
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole (CID 162259136) is 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole is COc1cccc(F)c1CN1CCC[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccc6c(c5)C=CC6)c4c3)o2)C1.Fc1cccc(F)c1CN1CCC[C@@H](c2nnc(-c3ccc4[nH]nc(-c5ccc6c(c5)C=CC6)c4c3)o2)C1.c1ccc2oc(CN3CCC[C@@H](c4nnc(-c5ccc6[nH]nc(-c7ccc8occc8c7)c6c5)o4)C3)cc2c1.

What is the InChIKey of 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

The InChIKey is ZYZOHUIXNJJTDP-VGJFPNGESA-N. The full InChI is InChI=1S/C31H28FN5O2.C31H25N5O3.C30H25F2N5O/c1-38-28-9-3-8-26(32)25(28)18-37-14-4-7-23(17-37)31-36-35-30(39-31)22-12-13-27-24(16-22)29(34-33-27)21-11-10-19-5-2-6-20(19)15-21;1-2-6-28-19(4-1)15-24(38-28)18-36-12-3-5-23(17-36)31-35-34-30(39-31)22-7-9-26-25(16-22)29(33-32-26)21-8-10-27-20(14-21)11-13-37-27;31-25-7-2-8-26(32)24(25)17-37-13-3-6-22(16-37)30-36-35-29(38-30)21-11-12-27-23(15-21)28(34-33-27)20-10-9-18-4-1-5-19(18)14-20/h2-3,6,8-13,15-16,23H,4-5,7,14,17-18H2,1H3,(H,33,34);1-2,4,6-11,13-16,23H,3,5,12,17-18H2,(H,32,33);1-2,5,7-12,14-15,22H,3-4,6,13,16-17H2,(H,33,34)/t2*23-;22-/m111/s1.

What are the key properties of 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole?

2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 1546.73 g/mol, XLogP of 20.04, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1-benzofuran-5-yl)-1H-indazol-5-yl]-5-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-5-[3-(1H-inden-5-yl)-1H-indazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 162259136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).