3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol

C114H114F6N18O16S2 — CID 157425119

About 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol

3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 157425119) has the molecular formula C114H114F6N18O16S2 and a molecular weight of 2170.40 g/mol. Its IUPAC name is 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

• Compound Name: 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol
• PubChem CID: 157425119
• Molecular Formula: C114H114F6N18O16S2
• Molecular Weight: 2170.40 g/mol
• Exact Mass: 2168.80
• IUPAC Name: 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol
• SMILES: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCCCC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCOCC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C(F)(F)F.CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C(F)(F)F.N#Cc1cccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)c1
• InChI: InChI=1S/C28H33N5O4S.C27H31N5O5S.C21H19F3N2O3.C20H17F3N2O3.C18H14N4O/c1-19(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;1-18(2)36-25-9-6-19(16-20(25)17-28)27-29-26(30-37-27)23-5-3-4-22-21(23)7-8-24(22)31-38(33,34)15-12-32-10-13-35-14-11-32;1-11(2)28-18-9-6-12(10-16(18)21(22,23)24)20-25-19(26-29-20)15-5-3-4-14-13(15)7-8-17(14)27;1-2-27-17-9-6-11(10-15(17)20(21,22)23)19-24-18(25-28-19)14-5-3-4-13-12(14)7-8-16(13)26;19-10-11-3-1-4-12(9-11)18-21-17(22-23-18)15-6-2-5-14-13(15)7-8-16(14)20/h6-9,12,17,19,25,32H,3-5,10-11,13-16H2,1-2H3;3-6,9,16,18,24,31H,7-8,10-15H2,1-2H3;3-6,9-11,17,27H,7-8H2,1-2H3;3-6,9-10,16,26H,2,7-8H2,1H3;1-6,9,16H,7-8,20H2/t25-;24-;17-;2*16-/m00011/s1
• InChIKey: BPWGWKSSLGNREM-NLGFTAPWSA-N
• XLogP: 20.97
• TPSA: 477.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.40
LogP ≤ 5	20.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol?

The IUPAC name of 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol (CID 157425119) is 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol.

What is the SMILES notation for 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol?

The canonical SMILES for 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCCCC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCOCC3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C(F)(F)F.CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C(F)(F)F.N#Cc1cccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)c1.

What is the InChIKey of 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol?

The InChIKey is BPWGWKSSLGNREM-NLGFTAPWSA-N. The full InChI is InChI=1S/C28H33N5O4S.C27H31N5O5S.C21H19F3N2O3.C20H17F3N2O3.C18H14N4O/c1-19(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;1-18(2)36-25-9-6-19(16-20(25)17-28)27-29-26(30-37-27)23-5-3-4-22-21(23)7-8-24(22)31-38(33,34)15-12-32-10-13-35-14-11-32;1-11(2)28-18-9-6-12(10-16(18)21(22,23)24)20-25-19(26-29-20)15-5-3-4-14-13(15)7-8-17(14)27;1-2-27-17-9-6-11(10-15(17)20(21,22)23)19-24-18(25-28-19)14-5-3-4-13-12(14)7-8-16(13)26;19-10-11-3-1-4-12(9-11)18-21-17(22-23-18)15-6-2-5-14-13(15)7-8-16(14)20/h6-9,12,17,19,25,32H,3-5,10-11,13-16H2,1-2H3;3-6,9,16,18,24,31H,7-8,10-15H2,1-2H3;3-6,9-11,17,27H,7-8H2,1-2H3;3-6,9-10,16,26H,2,7-8H2,1H3;1-6,9,16H,7-8,20H2/t25-;24-;17-;2*16-/m00011/s1.

What are the key properties of 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol?

3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 2170.40 g/mol, XLogP of 20.97, 28 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(1R)-1-amino-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile;N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-morpholin-4-ylethanesulfonamide;N-[(1S)-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;(1R)-4-[5-[4-ethoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol;(1S)-4-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 157425119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).