About N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 157088647) has the molecular formula C145H149F9N20O15
and a molecular weight of 2582.89 g/mol. Its IUPAC name is N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.
Frequently Asked Questions
What is the IUPAC name of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 157088647) is N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4C)no2)cc1C(F)(F)F.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)CN(C)C)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4C)no2)cc1C(F)(F)F.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@H](C)C3)no2)cc1C#N.CCCCC(=O)CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4C)no2)cc1C(F)(F)F.
What is the InChIKey of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is AEJWJVWDTFIRHH-VILPVWJQSA-N. The full InChI is InChI=1S/C28H31N5O3.C27H30N4O3.C25H27N5O3.2C22H21F3N2O2.C21H19F3N2O2/c1-17(2)35-25-10-7-19(13-20(25)14-29)28-31-27(32-36-28)23-6-4-5-22-21(23)8-9-24(22)30-15-26(34)33-12-11-18(3)16-33;1-4-5-7-20(32)16-29-24-12-11-21-22(24)8-6-9-23(21)26-30-27(34-31-26)18-10-13-25(33-17(2)3)19(14-18)15-28;1-15(2)32-22-11-8-16(12-17(22)13-26)25-28-24(29-33-25)20-7-5-6-19-18(20)9-10-21(19)27-23(31)14-30(3)4;2*1-12(2)28-19-10-8-14(11-18(19)22(23,24)25)21-26-20(27-29-21)17-6-4-5-15-13(3)7-9-16(15)17;1-3-27-18-10-8-13(11-17(18)21(22,23)24)20-25-19(26-28-20)16-6-4-5-14-12(2)7-9-15(14)16/h4-7,10,13,17-18,24,30H,8-9,11-12,15-16H2,1-3H3;6,8-10,13-14,17,24,29H,4-5,7,11-12,16H2,1-3H3;5-8,11-12,15,21H,9-10,14H2,1-4H3,(H,27,31);2*4-6,8,10-13H,7,9H2,1-3H3;4-6,8,10-12H,3,7,9H2,1-2H3/t18-,24+;24-;21-;2*13-;12-/m010101/s1.
What are the key properties of N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 2582.89 g/mol, XLogP of 32.02, 36 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-(dimethylamino)acetamide;5-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazole;3-[(1R)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-[3-[(1R)-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1-(2-oxohexylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 157088647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).