5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile)

C163H184N26O16 — CID 158533144

About 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile)

5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile) (PubChem CID 158533144) has the molecular formula C163H184N26O16 and a molecular weight of 2763.43 g/mol. Its IUPAC name is 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile).

Molecular Properties

• Compound Name: 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile)
• PubChem CID: 158533144
• Molecular Formula: C163H184N26O16
• Molecular Weight: 2763.43 g/mol
• Exact Mass: 2761.44
• IUPAC Name: 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile)
• SMILES: CC(=O)CCCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(=O)CCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC3CCCCC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCCCC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCCCC3)no2)cc1C#N.COC(=O)CCCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
• InChI: InChI=1S/2C28H33N5O2.C27H30N4O4.C27H30N4O3.C27H30N4O2.C26H28N4O3/c2*1-19(2)34-26-12-9-20(17-21(26)18-29)28-31-27(32-35-28)24-8-6-7-23-22(24)10-11-25(23)30-13-16-33-14-4-3-5-15-33;1-17(2)34-24-13-10-18(15-19(24)16-28)27-30-26(31-35-27)22-8-6-7-21-20(22)11-12-23(21)29-14-5-4-9-25(32)33-3;1-17(2)33-25-13-10-19(15-20(25)16-28)27-30-26(31-34-27)23-9-6-8-22-21(23)11-12-24(22)29-14-5-4-7-18(3)32;1-17(2)32-25-14-11-18(15-19(25)16-28)27-30-26(31-33-27)23-10-6-9-22-21(23)12-13-24(22)29-20-7-4-3-5-8-20;1-16(2)32-24-12-9-18(14-19(24)15-27)26-29-25(30-33-26)22-8-4-7-21-20(22)10-11-23(21)28-13-5-6-17(3)31/h2*6-9,12,17,19,25,30H,3-5,10-11,13-16H2,1-2H3;6-8,10,13,15,17,23,29H,4-5,9,11-12,14H2,1-3H3;6,8-10,13,15,17,24,29H,4-5,7,11-12,14H2,1-3H3;6,9-11,14-15,17,20,24,29H,3-5,7-8,12-13H2,1-2H3;4,7-9,12,14,16,23,28H,5-6,10-11,13H2,1-3H3/t;;;24-;;23-/m...0.0/s1
• InChIKey: HNPVUJRNUIVXPN-JXALYTOFSA-N
• XLogP: 31.61
• TPSA: 570.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 51
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2763.43
LogP ≤ 5	31.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile)?

The IUPAC name of 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile) (CID 158533144) is 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-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-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile)?

The canonical SMILES for 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile) is CC(=O)CCCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(=O)CCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC3CCCCC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCCCC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCCCC3)no2)cc1C#N.COC(=O)CCCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.

What is the InChIKey of 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile)?

The InChIKey is HNPVUJRNUIVXPN-JXALYTOFSA-N. The full InChI is InChI=1S/2C28H33N5O2.C27H30N4O4.C27H30N4O3.C27H30N4O2.C26H28N4O3/c2*1-19(2)34-26-12-9-20(17-21(26)18-29)28-31-27(32-35-28)24-8-6-7-23-22(24)10-11-25(23)30-13-16-33-14-4-3-5-15-33;1-17(2)34-24-13-10-18(15-19(24)16-28)27-30-26(31-35-27)22-8-6-7-21-20(22)11-12-23(21)29-14-5-4-9-25(32)33-3;1-17(2)33-25-13-10-19(15-20(25)16-28)27-30-26(31-34-27)23-9-6-8-22-21(23)11-12-24(22)29-14-5-4-7-18(3)32;1-17(2)32-25-14-11-18(15-19(25)16-28)27-30-26(31-33-27)23-10-6-9-22-21(23)12-13-24(22)29-20-7-4-3-5-8-20;1-16(2)32-24-12-9-18(14-19(24)15-27)26-29-25(30-33-26)22-8-4-7-21-20(22)10-11-23(21)28-13-5-6-17(3)31/h2*6-9,12,17,19,25,30H,3-5,10-11,13-16H2,1-2H3;6-8,10,13,15,17,23,29H,4-5,9,11-12,14H2,1-3H3;6,8-10,13,15,17,24,29H,4-5,7,11-12,14H2,1-3H3;6,9-11,14-15,17,20,24,29H,3-5,7-8,12-13H2,1-2H3;4,7-9,12,14,16,23,28H,5-6,10-11,13H2,1-3H3/t;;;24-;;23-/m...0.0/s1.

What are the key properties of 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile)?

5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile) has a molecular weight of 2763.43 g/mol, XLogP of 31.61, 51 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[1-(cyclohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;methyl 5-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]pentanoate;5-[3-[(1S)-1-(5-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(4-oxopentylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;bis(5-[3-[1-(2-piperidin-1-ylethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile) is sourced from PubChem (CID 158533144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).