5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

C121H124N20O17S2 — CID 161378367

About 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 161378367) has the molecular formula C121H124N20O17S2 and a molecular weight of 2194.58 g/mol. Its IUPAC name is 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

• Compound Name: 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
• PubChem CID: 161378367
• Molecular Formula: C121H124N20O17S2
• Molecular Weight: 2194.58 g/mol
• Exact Mass: 2192.89
• IUPAC Name: 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
• SMILES: CC(=O)CS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(C)Oc1ccc(C#N)cc1-c1nc(-c2cccc3c2CC[C@H]3N)no1.CC1CCN(C2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1.COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.N#Cc1cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)ccc1OCC1CC1
• InChI: InChI=1S/C27H30N4O6S.C27H30N4O2.C24H24N4O5S.C22H20N4O2.C21H20N4O2/c1-16(2)36-23-12-9-17(13-18(23)14-28)25-29-24(30-37-25)21-8-6-7-20-19(21)10-11-22(20)31-38(33,34)15-27(3,4)26(32)35-5;1-17(2)32-25-10-7-19(15-20(25)16-28)27-29-26(30-33-27)23-6-4-5-22-21(23)8-9-24(22)31-13-11-18(3)12-14-31;1-14(2)32-22-10-7-16(11-17(22)12-25)24-26-23(27-33-24)20-6-4-5-19-18(20)8-9-21(19)28-34(30,31)13-15(3)29;23-11-15-10-14(6-9-20(15)27-12-13-4-5-13)22-25-21(26-28-22)18-3-1-2-17-16(18)7-8-19(17)24;1-12(2)26-19-9-6-13(11-22)10-17(19)21-24-20(25-27-21)16-5-3-4-15-14(16)7-8-18(15)23/h6-9,12-13,16,22,31H,10-11,15H2,1-5H3;4-7,10,15,17-18,24H,8-9,11-14H2,1-3H3;4-7,10-11,14,21,28H,8-9,13H2,1-3H3;1-3,6,9-10,13,19H,4-5,7-8,12,24H2;3-6,9-10,12,18H,7-8,23H2,1-2H3/t22-;;21-;19-;18-/m0.111/s1
• InChIKey: VRJNFTPULMDLER-LTTPTXKQSA-N
• XLogP: 21.53
• TPSA: 550.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.58
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The IUPAC name of 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 161378367) is 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.

What is the SMILES notation for 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The canonical SMILES for 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(=O)CS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(C)Oc1ccc(C#N)cc1-c1nc(-c2cccc3c2CC[C@H]3N)no1.CC1CCN(C2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1.COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.N#Cc1cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)ccc1OCC1CC1.

What is the InChIKey of 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

The InChIKey is VRJNFTPULMDLER-LTTPTXKQSA-N. The full InChI is InChI=1S/C27H30N4O6S.C27H30N4O2.C24H24N4O5S.C22H20N4O2.C21H20N4O2/c1-16(2)36-23-12-9-17(13-18(23)14-28)25-29-24(30-37-25)21-8-6-7-20-19(21)10-11-22(20)31-38(33,34)15-27(3,4)26(32)35-5;1-17(2)32-25-10-7-19(15-20(25)16-28)27-29-26(30-33-27)23-6-4-5-22-21(23)8-9-24(22)31-13-11-18(3)12-14-31;1-14(2)32-22-10-7-16(11-17(22)12-25)24-26-23(27-33-24)20-6-4-5-19-18(20)8-9-21(19)28-34(30,31)13-15(3)29;23-11-15-10-14(6-9-20(15)27-12-13-4-5-13)22-25-21(26-28-22)18-3-1-2-17-16(18)7-8-19(17)24;1-12(2)26-19-9-6-13(11-22)10-17(19)21-24-20(25-27-21)16-5-3-4-15-14(16)7-8-18(15)23/h6-9,12-13,16,22,31H,10-11,15H2,1-5H3;4-7,10,15,17-18,24H,8-9,11-14H2,1-3H3;4-7,10-11,14,21,28H,8-9,13H2,1-3H3;1-3,6,9-10,13,19H,4-5,7-8,12,24H2;3-6,9-10,12,18H,7-8,23H2,1-2H3/t22-;;21-;19-;18-/m0.111/s1.

What are the key properties of 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?

5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 2194.58 g/mol, XLogP of 21.53, 31 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(cyclopropylmethoxy)benzonitrile;3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-4-propan-2-yloxybenzonitrile;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-oxopropane-1-sulfonamide;methyl 3-[[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-2,2-dimethylpropanoate;5-[3-[1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 161378367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).