About 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 158228696) has the molecular formula C160H168N24O22
and a molecular weight of 2779.25 g/mol. Its IUPAC name is 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.
Frequently Asked Questions
What is the IUPAC name of 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile (CID 158228696) is 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@@]43CC(=O)N(CCO)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC[C@]43CC(=O)N(CCO)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@]43CCC(=O)N(CCO)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@]43CCN(CCO)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@]43CCC(=O)N(CCO)C3)no2)cc1C#N.CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@]43CCN(CCO)C3)no2)cc1C#N.
What is the InChIKey of 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is GECQCWOQJIEZDJ-IQSGKENCSA-N. The full InChI is InChI=1S/4C27H28N4O4.2C26H28N4O3/c2*1-17(2)34-23-9-8-18(13-19(23)15-28)26-29-25(30-35-26)21-5-3-7-22-20(21)6-4-10-27(22)14-24(33)31(16-27)11-12-32;2*1-17(2)34-23-7-6-18(14-19(23)15-28)26-29-25(30-35-26)21-4-3-5-22-20(21)8-10-27(22)11-9-24(33)31(16-27)12-13-32;2*1-17(2)32-23-7-6-18(14-19(23)15-27)25-28-24(29-33-25)21-4-3-5-22-20(21)8-9-26(22)10-11-30(16-26)12-13-31/h2*3,5,7-9,13,17,32H,4,6,10-12,14,16H2,1-2H3;2*3-7,14,17,32H,8-13,16H2,1-2H3;2*3-7,14,17,31H,8-13,16H2,1-2H3/t4*27-;2*26-/m101010/s1.
What are the key properties of 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile?
5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 2779.25 g/mol, XLogP of 23.33, 36 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1R)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,5'-piperidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5R)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(5S)-1'-(2-hydroxyethyl)-2'-oxospiro[7,8-dihydro-6H-naphthalene-5,4'-pyrrolidine]-1-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1S)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[(1R)-1'-(2-hydroxyethyl)spiro[2,3-dihydroindene-1,3'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 158228696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).