4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one

C22H18N4O2 — CID 91906748

IUPAC4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3noc(-c4nccc5ccccc45)n3)CC2=O)cc1
InChIInChI=1S/C22H18N4O2/c1-14-6-8-17(9-7-14)26-13-16(12-19(26)27)21-24-22(28-25-21)20-18-5-3-2-4-15(18)10-11-23-20/h2-11,16H,12-13H2,1H3
InChIKeyLXWZRPUXJNBURY-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.11
Rot. Bonds3

About 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one

4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 91906748) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID91906748
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(c3noc(-c4nccc5ccccc45)n3)CC2=O)cc1
InChIInChI=1S/C22H18N4O2/c1-14-6-8-17(9-7-14)26-13-16(12-19(26)27)21-24-22(28-25-21)20-18-5-3-2-4-15(18)10-11-23-20/h2-11,16H,12-13H2,1H3
InChIKeyLXWZRPUXJNBURY-UHFFFAOYSA-N
XLogP4.11
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 91916902
(4R)-4-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 98777829
(4R)-1-(4-methylphenyl)-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 94199968
(4R)-4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742036
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
4-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916842
(4R)-4-[5-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 94200000
(4R)-1-(4-methylphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 99741952
1-(4-methylphenyl)-4-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91906735
4-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916847
(4R)-4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 94199986
4-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91906730

Frequently Asked Questions

What is the IUPAC name of 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one (CID 91906748) is 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(c3noc(-c4nccc5ccccc45)n3)CC2=O)cc1.
What is the InChIKey of 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is LXWZRPUXJNBURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14-6-8-17(9-7-14)26-13-16(12-19(26)27)21-24-22(28-25-21)20-18-5-3-2-4-15(18)10-11-23-20/h2-11,16H,12-13H2,1H3.
What are the key properties of 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one?
4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 370.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 91906748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).