(1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole

C118H126ClN19O16S2 — CID 158560049

About (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole

(1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole (PubChem CID 158560049) has the molecular formula C118H126ClN19O16S2 and a molecular weight of 2166.01 g/mol. Its IUPAC name is (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole
• PubChem CID: 158560049
• Molecular Formula: C118H126ClN19O16S2
• Molecular Weight: 2166.01 g/mol
• Exact Mass: 2163.88
• IUPAC Name: (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1Cl.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCCCC3)no2)cc1C#N.CC1CCN(CCS(=O)(=O)N[C@@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1.CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4C)no2)cc1C#N.CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4C)no2)cc1[N+](=O)[O-]
• InChI: InChI=1S/C29H35N5O4S.C28H33N5O4S.C21H19N3O2.C20H20ClN3O2.C20H19N3O4/c1-19(2)37-27-10-7-21(17-22(27)18-30)29-31-28(32-38-29)25-6-4-5-24-23(25)8-9-26(24)33-39(35,36)16-15-34-13-11-20(3)12-14-34;1-19(2)36-26-12-9-20(17-21(26)18-29)28-30-27(31-37-28)24-8-6-7-23-22(24)10-11-25(23)32-38(34,35)16-15-33-13-4-3-5-14-33;1-3-25-19-10-8-14(11-15(19)12-22)21-23-20(24-26-21)18-6-4-5-16-13(2)7-9-17(16)18;1-11(2)25-18-9-6-12(10-16(18)21)20-23-19(24-26-20)15-5-3-4-14-13(15)7-8-17(14)22;1-3-26-18-10-8-13(11-17(18)23(24)25)20-21-19(22-27-20)16-6-4-5-14-12(2)7-9-15(14)16/h4-7,10,17,19-20,26,33H,8-9,11-16H2,1-3H3;6-9,12,17,19,25,32H,3-5,10-11,13-16H2,1-2H3;4-6,8,10-11,13H,3,7,9H2,1-2H3;3-6,9-11,17H,7-8,22H2,1-2H3;4-6,8,10-12H,3,7,9H2,1-2H3/t26-;25-;13-;17-;12-/m11111/s1
• InChIKey: DLSCPPXKCGHHQJ-KOPFDQEVSA-N
• XLogP: 23.43
• TPSA: 480.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.01
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole?

The IUPAC name of (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole (CID 158560049) is (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole.

What is the SMILES notation for (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole?

The canonical SMILES for (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1Cl.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCCCC3)no2)cc1C#N.CC1CCN(CCS(=O)(=O)N[C@@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1.CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4C)no2)cc1C#N.CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4C)no2)cc1[N+](=O)[O-].

What is the InChIKey of (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole?

The InChIKey is DLSCPPXKCGHHQJ-KOPFDQEVSA-N. The full InChI is InChI=1S/C29H35N5O4S.C28H33N5O4S.C21H19N3O2.C20H20ClN3O2.C20H19N3O4/c1-19(2)37-27-10-7-21(17-22(27)18-30)29-31-28(32-38-29)25-6-4-5-24-23(25)8-9-26(24)33-39(35,36)16-15-34-13-11-20(3)12-14-34;1-19(2)36-26-12-9-20(17-21(26)18-29)28-30-27(31-37-28)24-8-6-7-23-22(24)10-11-25(23)32-38(34,35)16-15-33-13-4-3-5-14-33;1-3-25-19-10-8-14(11-15(19)12-22)21-23-20(24-26-21)18-6-4-5-16-13(2)7-9-17(16)18;1-11(2)25-18-9-6-12(10-16(18)21)20-23-19(24-26-20)15-5-3-4-14-13(15)7-8-17(14)22;1-3-26-18-10-8-13(11-17(18)23(24)25)20-21-19(22-27-20)16-6-4-5-14-12(2)7-9-15(14)16/h4-7,10,17,19-20,26,33H,8-9,11-16H2,1-3H3;6-9,12,17,19,25,32H,3-5,10-11,13-16H2,1-2H3;4-6,8,10-11,13H,3,7,9H2,1-2H3;3-6,9-11,17H,7-8,22H2,1-2H3;4-6,8,10-12H,3,7,9H2,1-2H3/t26-;25-;13-;17-;12-/m11111/s1.

What are the key properties of (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole?

(1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole has a molecular weight of 2166.01 g/mol, XLogP of 23.43, 31 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-amine;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpiperidin-1-yl)ethanesulfonamide;N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-piperidin-1-ylethanesulfonamide;2-ethoxy-5-[3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;5-(4-ethoxy-3-nitrophenyl)-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 158560049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).