2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole

C77H66N16O8 — CID 158380882

About 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole

2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 158380882) has the molecular formula C77H66N16O8 and a molecular weight of 1343.48 g/mol. Its IUPAC name is 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole
• PubChem CID: 158380882
• Molecular Formula: C77H66N16O8
• Molecular Weight: 1343.48 g/mol
• Exact Mass: 1342.52
• IUPAC Name: 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole
• SMILES: CC(C)Oc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1.CCOc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1.COc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1.c1ccc(COc2cccc(-c3nn(Cc4nnco4)c4ccccc34)c2)cc1
• InChI: InChI=1S/C23H18N4O2.C19H18N4O2.C18H16N4O2.C17H14N4O2/c1-2-7-17(8-3-1)15-28-19-10-6-9-18(13-19)23-20-11-4-5-12-21(20)27(26-23)14-22-25-24-16-29-22;1-13(2)25-15-7-5-6-14(10-15)19-16-8-3-4-9-17(16)23(22-19)11-18-21-20-12-24-18;1-2-23-14-7-5-6-13(10-14)18-15-8-3-4-9-16(15)22(21-18)11-17-20-19-12-24-17;1-22-13-6-4-5-12(9-13)17-14-7-2-3-8-15(14)21(20-17)10-16-19-18-11-23-16/h1-13,16H,14-15H2;3-10,12-13H,11H2,1-2H3;3-10,12H,2,11H2,1H3;2-9,11H,10H2,1H3
• InChIKey: GVTRJOYHEXKPTQ-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 263.88 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1343.48
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole (CID 158380882) is 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole is CC(C)Oc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1.CCOc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1.COc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1.c1ccc(COc2cccc(-c3nn(Cc4nnco4)c4ccccc34)c2)cc1.

What is the InChIKey of 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole?

The InChIKey is GVTRJOYHEXKPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2.C19H18N4O2.C18H16N4O2.C17H14N4O2/c1-2-7-17(8-3-1)15-28-19-10-6-9-18(13-19)23-20-11-4-5-12-21(20)27(26-23)14-22-25-24-16-29-22;1-13(2)25-15-7-5-6-14(10-15)19-16-8-3-4-9-17(16)23(22-19)11-18-21-20-12-24-18;1-2-23-14-7-5-6-13(10-14)18-15-8-3-4-9-16(15)22(21-18)11-17-20-19-12-24-17;1-22-13-6-4-5-12(9-13)17-14-7-2-3-8-15(14)21(20-17)10-16-19-18-11-23-16/h1-13,16H,14-15H2;3-10,12-13H,11H2,1-2H3;3-10,12H,2,11H2,1H3;2-9,11H,10H2,1H3.

What are the key properties of 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole?

2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 1343.48 g/mol, XLogP of 15.31, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(3-ethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-methoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-phenylmethoxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole;2-[[3-(3-propan-2-yloxyphenyl)indazol-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 158380882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).