5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile

C26H27N5O4 — CID 167297686

About 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile

5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile (PubChem CID 167297686) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile
• PubChem CID: 167297686
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile
• SMILES: CC(C)Oc1ncc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCCO)C3)no2)cc1C#N
• InChI: InChI=1S/C26H27N5O4/c1-16(2)34-24-17(13-27)11-18(14-28-24)25-29-23(30-35-25)20-5-3-6-21-19(20)7-8-26(21)12-22(33)31(15-26)9-4-10-32/h3,5-6,11,14,16,32H,4,7-10,12,15H2,1-2H3
• InChIKey: OIXSJTCTJLCZLN-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 125.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile?

The IUPAC name of 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile (CID 167297686) is 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile.

What is the SMILES notation for 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile?

The canonical SMILES for 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile is CC(C)Oc1ncc(-c2nc(-c3cccc4c3CCC43CC(=O)N(CCCO)C3)no2)cc1C#N.

What is the InChIKey of 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile?

The InChIKey is OIXSJTCTJLCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16(2)34-24-17(13-27)11-18(14-28-24)25-29-23(30-35-25)20-5-3-6-21-19(20)7-8-26(21)12-22(33)31(15-26)9-4-10-32/h3,5-6,11,14,16,32H,4,7-10,12,15H2,1-2H3.

What are the key properties of 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile?

5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile has a molecular weight of 473.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[1'-(3-hydroxypropyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 167297686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).