N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

C70H71N11O8 — CID 159784417

About N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 159784417) has the molecular formula C70H71N11O8 and a molecular weight of 1194.41 g/mol. Its IUPAC name is N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

• Compound Name: N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
• PubChem CID: 159784417
• Molecular Formula: C70H71N11O8
• Molecular Weight: 1194.41 g/mol
• Exact Mass: 1193.55
• IUPAC Name: N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
• SMILES: C.CC(=O)CNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(=O)NC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4C)no2)cc1C#N
• InChI: InChI=1S/C24H24N4O3.C23H22N4O3.C22H21N3O2.CH4/c1-14(2)30-22-10-7-16(11-17(22)12-25)24-27-23(28-31-24)20-6-4-5-19-18(20)8-9-21(19)26-13-15(3)29;1-13(2)29-21-10-7-15(11-16(21)12-24)23-26-22(27-30-23)19-6-4-5-18-17(19)8-9-20(18)25-14(3)28;1-13(2)26-20-10-8-15(11-16(20)12-23)22-24-21(25-27-22)19-6-4-5-17-14(3)7-9-18(17)19;/h4-7,10-11,14,21,26H,8-9,13H2,1-3H3;4-7,10-11,13,20H,8-9H2,1-3H3,(H,25,28);4-6,8,10-11,13-14H,7,9H2,1-3H3;1H4
• InChIKey: NHTRLOOLXJHDRO-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 274.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1194.41
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The IUPAC name of N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 159784417) is N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

What is the SMILES notation for N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The canonical SMILES for N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is C.CC(=O)CNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(=O)NC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4C)no2)cc1C#N.

What is the InChIKey of N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The InChIKey is NHTRLOOLXJHDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3.C23H22N4O3.C22H21N3O2.CH4/c1-14(2)30-22-10-7-16(11-17(22)12-25)24-27-23(28-31-24)20-6-4-5-19-18(20)8-9-21(19)26-13-15(3)29;1-13(2)29-21-10-7-15(11-16(21)12-24)23-26-22(27-30-23)19-6-4-5-18-17(19)8-9-20(18)25-14(3)28;1-13(2)26-20-10-8-15(11-16(20)12-23)22-24-21(25-27-22)19-6-4-5-17-14(3)7-9-18(17)19;/h4-7,10-11,14,21,26H,8-9,13H2,1-3H3;4-7,10-11,13,20H,8-9H2,1-3H3,(H,25,28);4-6,8,10-11,13-14H,7,9H2,1-3H3;1H4.

What are the key properties of N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 1194.41 g/mol, XLogP of 14.16, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]acetamide;methane;5-[3-(1-methyl-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-(2-oxopropylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 159784417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).