(3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one

C22H20ClN3O3 — CID 146369708

IUPAC(3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
SMILESO=C1C[C@@]2(CCc3c(-c4noc(-c5ccccc5Cl)n4)cccc32)CN1CCO
InChIInChI=1S/C22H20ClN3O3/c23-18-7-2-1-4-16(18)21-24-20(25-29-21)15-5-3-6-17-14(15)8-9-22(17)12-19(28)26(13-22)10-11-27/h1-7,27H,8-13H2/t22-/m0/s1
InChIKeyFYNRQYVFLBUAGD-QFIPXVFZSA-N
MW409.87 g/mol
LogP3.47
Rot. Bonds4

About (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one

(3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one (PubChem CID 146369708) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name(3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
PubChem CID146369708
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name(3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
SMILESO=C1C[C@@]2(CCc3c(-c4noc(-c5ccccc5Cl)n4)cccc32)CN1CCO
InChIInChI=1S/C22H20ClN3O3/c23-18-7-2-1-4-16(18)21-24-20(25-29-21)15-5-3-6-17-14(15)8-9-22(17)12-19(28)26(13-22)10-11-27/h1-7,27H,8-13H2/t22-/m0/s1
InChIKeyFYNRQYVFLBUAGD-QFIPXVFZSA-N
XLogP3.47
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 146369651
(3R)-7-[5-[5-bromo-6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one
CID 147755228
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
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
1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N'-hydroxy-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-carboximidamide;3-cyanobenzoic acid;bis(3-[3-[1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile)
CID 162170565
2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]acetic acid;2-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2'-oxospiro[1,2-dihydroindene-3,4'-pyrrolidine]-1'-yl]-N,N-dimethylacetamide;5-[3-[1'-[2-(dimethylamino)ethyl]-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;5-[3-[1'-(2-methylsulfonylethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 157160886
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Frequently Asked Questions

What is the IUPAC name of (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The IUPAC name of (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one (CID 146369708) is (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one.
What is the SMILES notation for (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The canonical SMILES for (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one is O=C1C[C@@]2(CCc3c(-c4noc(-c5ccccc5Cl)n4)cccc32)CN1CCO.
What is the InChIKey of (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
The InChIKey is FYNRQYVFLBUAGD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c23-18-7-2-1-4-16(18)21-24-20(25-29-21)15-5-3-6-17-14(15)8-9-22(17)12-19(28)26(13-22)10-11-27/h1-7,27H,8-13H2/t22-/m0/s1.
What are the key properties of (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one?
(3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one has a molecular weight of 409.87 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 146369708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).