5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

C156H157N23O15 — CID 157114506

IUPAC5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](C)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CCOC3=O)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3ccccc3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCc3ccccc3)no2)cc1C#N.CCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC[C@H](O)CCC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
InChIInChI=1S/2C28H26N4O2.C26H28N4O2.C26H29N3O3.C24H22N4O4.C24H26N4O2/c2*1-18(2)33-26-14-11-20(15-21(26)16-29)28-31-27(32-34-28)24-10-6-9-23-22(24)12-13-25(23)30-17-19-7-4-3-5-8-19;1-16(2)31-24-10-7-18(13-19(24)14-27)26-28-25(29-32-26)22-6-4-5-21-20(22)8-9-23(21)30-12-11-17(3)15-30;1-4-20(30)11-8-17-9-12-22-21(17)6-5-7-23(22)25-28-26(32-29-25)18-10-13-24(31-16(2)3)19(14-18)15-27;1-14(2)31-21-9-6-15(12-16(21)13-25)23-26-22(27-32-23)19-5-3-4-18-17(19)7-8-20(18)28-10-11-30-24(28)29;1-4-12-26-21-10-9-18-19(21)6-5-7-20(18)23-27-24(30-28-23)16-8-11-22(29-15(2)3)17(13-16)14-25/h2*3-11,14-15,18,25,30H,12-13,17H2,1-2H3;4-7,10,13,16-17,23H,8-9,11-12,15H2,1-3H3;5-7,10,13-14,16-17,20,30H,4,8-9,11-12H2,1-3H3;3-6,9,12,14,20H,7-8,10-11H2,1-2H3;5-8,11,13,15,21,26H,4,9-10,12H2,1-3H3/t2*25-;17-,23?;17?,20-;20-;/m10100./s1
InChIKeyAHFUNBSTMNTTHS-BIKZUWJESA-N
MW2594.12 g/mol
LogP32.27
Rot. Bonds39

About 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 157114506) has the molecular formula C156H157N23O15 and a molecular weight of 2594.12 g/mol. Its IUPAC name is 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID157114506
Molecular FormulaC156H157N23O15
Molecular Weight2594.12 g/mol
Exact Mass2592.22
IUPAC Name5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](C)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CCOC3=O)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3ccccc3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCc3ccccc3)no2)cc1C#N.CCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC[C@H](O)CCC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
InChIInChI=1S/2C28H26N4O2.C26H28N4O2.C26H29N3O3.C24H22N4O4.C24H26N4O2/c2*1-18(2)33-26-14-11-20(15-21(26)16-29)28-31-27(32-34-28)24-10-6-9-23-22(24)12-13-25(23)30-17-19-7-4-3-5-8-19;1-16(2)31-24-10-7-18(13-19(24)14-27)26-28-25(29-32-26)22-6-4-5-21-20(22)8-9-23(21)30-12-11-17(3)15-30;1-4-20(30)11-8-17-9-12-22-21(17)6-5-7-23(22)25-28-26(32-29-25)18-10-13-24(31-16(2)3)19(14-18)15-27;1-14(2)31-21-9-6-15(12-16(21)13-25)23-26-22(27-32-23)19-5-3-4-18-17(19)7-8-20(18)28-10-11-30-24(28)29;1-4-12-26-21-10-9-18-19(21)6-5-7-20(18)23-27-24(30-28-23)16-8-11-22(29-15(2)3)17(13-16)14-25/h2*3-11,14-15,18,25,30H,12-13,17H2,1-2H3;4-7,10,13,16-17,23H,8-9,11-12,15H2,1-3H3;5-7,10,13-14,16-17,20,30H,4,8-9,11-12H2,1-3H3;3-6,9,12,14,20H,7-8,10-11H2,1-2H3;5-8,11,13,15,21,26H,4,9-10,12H2,1-3H3/t2*25-;17-,23?;17?,20-;20-;/m10100./s1
InChIKeyAHFUNBSTMNTTHS-BIKZUWJESA-N
XLogP32.27
TPSA520.74 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002594.12
LogP ≤ 532.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Analyze 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (CID 157114506) is 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](C)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CCOC3=O)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3ccccc3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCc3ccccc3)no2)cc1C#N.CCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.CC[C@H](O)CCC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21.
What is the InChIKey of 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is AHFUNBSTMNTTHS-BIKZUWJESA-N. The full InChI is InChI=1S/2C28H26N4O2.C26H28N4O2.C26H29N3O3.C24H22N4O4.C24H26N4O2/c2*1-18(2)33-26-14-11-20(15-21(26)16-29)28-31-27(32-34-28)24-10-6-9-23-22(24)12-13-25(23)30-17-19-7-4-3-5-8-19;1-16(2)31-24-10-7-18(13-19(24)14-27)26-28-25(29-32-26)22-6-4-5-21-20(22)8-9-23(21)30-12-11-17(3)15-30;1-4-20(30)11-8-17-9-12-22-21(17)6-5-7-23(22)25-28-26(32-29-25)18-10-13-24(31-16(2)3)19(14-18)15-27;1-14(2)31-21-9-6-15(12-16(21)13-25)23-26-22(27-32-23)19-5-3-4-18-17(19)7-8-20(18)28-10-11-30-24(28)29;1-4-12-26-21-10-9-18-19(21)6-5-7-20(18)23-27-24(30-28-23)16-8-11-22(29-15(2)3)17(13-16)14-25/h2*3-11,14-15,18,25,30H,12-13,17H2,1-2H3;4-7,10,13,16-17,23H,8-9,11-12,15H2,1-3H3;5-7,10,13-14,16-17,20,30H,4,8-9,11-12H2,1-3H3;3-6,9,12,14,20H,7-8,10-11H2,1-2H3;5-8,11,13,15,21,26H,4,9-10,12H2,1-3H3/t2*25-;17-,23?;17?,20-;20-;/m10100./s1.
What are the key properties of 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 2594.12 g/mol, XLogP of 32.27, 39 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(benzylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3S)-3-hydroxypentyl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1-[(3R)-3-methylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;2-propan-2-yloxy-5-[3-[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 157114506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).