2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

C23H20N4O3 — CID 146369651

IUPAC2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2cccc3c2CC[C@]32CC(=O)N(CCO)C2)no1
InChIInChI=1S/C23H20N4O3/c24-13-15-4-1-2-5-16(15)22-25-21(26-30-22)18-6-3-7-19-17(18)8-9-23(19)12-20(29)27(14-23)10-11-28/h1-7,28H,8-12,14H2/t23-/m1/s1
InChIKeyPBNIXXSULGLHSS-HSZRJFAPSA-N
MW400.44 g/mol
LogP2.68
Rot. Bonds4

About 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile

2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 146369651) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID146369651
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2cccc3c2CC[C@]32CC(=O)N(CCO)C2)no1
InChIInChI=1S/C23H20N4O3/c24-13-15-4-1-2-5-16(15)22-25-21(26-30-22)18-6-3-7-19-17(18)8-9-23(19)12-20(29)27(14-23)10-11-28/h1-7,28H,8-12,14H2/t23-/m1/s1
InChIKeyPBNIXXSULGLHSS-HSZRJFAPSA-N
XLogP2.68
TPSA103.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 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) is 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1ccccc1-c1nc(-c2cccc3c2CC[C@]32CC(=O)N(CCO)C2)no1.
What is the InChIKey of 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is PBNIXXSULGLHSS-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20N4O3/c24-13-15-4-1-2-5-16(15)22-25-21(26-30-22)18-6-3-7-19-17(18)8-9-23(19)12-20(29)27(14-23)10-11-28/h1-7,28H,8-12,14H2/t23-/m1/s1.
What are the key properties of 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile?
2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 400.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S)-1'-(2-hydroxyethyl)-2'-oxospiro[2,3-dihydroindene-1,4'-pyrrolidine]-4-yl]-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 146369651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).