5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate

C74H72N12O10 — CID 157160370

About 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate

5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate (PubChem CID 157160370) has the molecular formula C74H72N12O10 and a molecular weight of 1289.46 g/mol. Its IUPAC name is 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate.

Molecular Properties

• Compound Name: 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate
• PubChem CID: 157160370
• Molecular Formula: C74H72N12O10
• Molecular Weight: 1289.46 g/mol
• Exact Mass: 1288.55
• IUPAC Name: 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC3CCN(CC(=O)O)C43)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC3CCNC43)no2)cc1C#N.COC(=O)CN1CCC2Cc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc3C21
• InChI: InChI=1S/C26H26N4O4.C25H24N4O4.C23H22N4O2/c1-15(2)33-22-8-7-17(11-18(22)13-27)26-28-25(29-34-26)20-6-4-5-19-21(20)12-16-9-10-30(24(16)19)14-23(31)32-3;1-14(2)32-21-7-6-16(10-17(21)12-26)25-27-24(28-33-25)19-5-3-4-18-20(19)11-15-8-9-29(23(15)18)13-22(30)31;1-13(2)28-20-7-6-15(10-16(20)12-24)23-26-22(27-29-23)18-5-3-4-17-19(18)11-14-8-9-25-21(14)17/h4-8,11,15-16,24H,9-10,12,14H2,1-3H3;3-7,10,14-15,23H,8-9,11,13H2,1-2H3,(H,30,31);3-7,10,13-14,21,25H,8-9,11H2,1-2H3
• InChIKey: AMHMYKWELKUYCF-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 297.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.46
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate?

The IUPAC name of 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate (CID 157160370) is 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate.

What is the SMILES notation for 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate?

The canonical SMILES for 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC3CCN(CC(=O)O)C43)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC3CCNC43)no2)cc1C#N.COC(=O)CN1CCC2Cc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc3C21.

What is the InChIKey of 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate?

The InChIKey is AMHMYKWELKUYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4.C25H24N4O4.C23H22N4O2/c1-15(2)33-22-8-7-17(11-18(22)13-27)26-28-25(29-34-26)20-6-4-5-19-21(20)12-16-9-10-30(24(16)19)14-23(31)32-3;1-14(2)32-21-7-6-16(10-17(21)12-26)25-27-24(28-33-25)19-5-3-4-18-20(19)11-15-8-9-29(23(15)18)13-22(30)31;1-13(2)28-20-7-6-15(10-16(20)12-24)23-26-22(27-29-23)18-5-3-4-17-19(18)11-14-8-9-25-21(14)17/h4-8,11,15-16,24H,9-10,12,14H2,1-3H3;3-7,10,14-15,23H,8-9,11,13H2,1-2H3,(H,30,31);3-7,10,13-14,21,25H,8-9,11H2,1-2H3.

What are the key properties of 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate?

5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate has a molecular weight of 1289.46 g/mol, XLogP of 12.49, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetic acid;methyl 2-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]pyrrol-1-yl]acetate is sourced from PubChem (CID 157160370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).