2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

C109H112N18O17S — CID 157160886

About 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 157160886) has the molecular formula C109H112N18O17S and a molecular weight of 1978.27 g/mol. Its IUPAC name is 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

• Compound Name: 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
• PubChem CID: 157160886
• Molecular Formula: C109H112N18O17S
• Molecular Weight: 1978.27 g/mol
• Exact Mass: 1976.82
• IUPAC Name: 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CC(=O)N(C)C)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CC(=O)O)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCN(C)C)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCS(C)(=O)=O)C3)no2)cc1C#N
• InChI: InChI=1S/C28H29N5O4.C28H31N5O3.C27H28N4O5S.C26H24N4O5/c1-17(2)36-23-9-8-18(12-19(23)14-29)27-30-26(31-37-27)21-6-5-7-22-20(21)10-11-28(22)13-24(34)33(16-28)15-25(35)32(3)4;1-18(2)35-24-9-8-19(14-20(24)16-29)27-30-26(31-36-27)22-6-5-7-23-21(22)10-11-28(23)15-25(34)33(17-28)13-12-32(3)4;1-17(2)35-23-8-7-18(13-19(23)15-28)26-29-25(30-36-26)21-5-4-6-22-20(21)9-10-27(22)14-24(32)31(16-27)11-12-37(3,33)34;1-15(2)34-21-7-6-16(10-17(21)12-27)25-28-24(29-35-25)19-4-3-5-20-18(19)8-9-26(20)11-22(31)30(14-26)13-23(32)33/h5-9,12,17H,10-11,13,15-16H2,1-4H3;5-9,14,18H,10-13,15,17H2,1-4H3;4-8,13,17H,9-12,14,16H2,1-3H3;3-7,10,15H,8-9,11,13-14H2,1-2H3,(H,32,33)
• InChIKey: AMIZUNIXPPUCHX-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 463.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1978.27
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The IUPAC name of 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 157160886) is 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

What is the SMILES notation for 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The canonical SMILES for 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CC(=O)N(C)C)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CC(=O)O)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCN(C)C)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCS(C)(=O)=O)C3)no2)cc1C#N.

What is the InChIKey of 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The InChIKey is AMIZUNIXPPUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4.C28H31N5O3.C27H28N4O5S.C26H24N4O5/c1-17(2)36-23-9-8-18(12-19(23)14-29)27-30-26(31-37-27)21-6-5-7-22-20(21)10-11-28(22)13-24(34)33(16-28)15-25(35)32(3)4;1-18(2)35-24-9-8-19(14-20(24)16-29)27-30-26(31-36-27)22-6-5-7-23-21(22)10-11-28(23)15-25(34)33(17-28)13-12-32(3)4;1-17(2)35-23-8-7-18(13-19(23)15-28)26-29-25(30-36-26)21-5-4-6-22-20(21)9-10-27(22)14-24(32)31(16-27)11-12-37(3,33)34;1-15(2)34-21-7-6-16(10-17(21)12-27)25-28-24(29-35-25)19-4-3-5-20-18(19)8-9-26(20)11-22(31)30(14-26)13-23(32)33/h5-9,12,17H,10-11,13,15-16H2,1-4H3;5-9,14,18H,10-13,15,17H2,1-4H3;4-8,13,17H,9-12,14,16H2,1-3H3;3-7,10,15H,8-9,11,13-14H2,1-2H3,(H,32,33).

What are the key properties of 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 1978.27 g/mol, XLogP of 14.69, 26 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 157160886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).