5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C20H24N4O — CID 56708391

IUPAC5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3cccc4cnccc34)n2)CC1
InChIInChI=1S/C20H24N4O/c1-2-10-24-11-7-15(8-12-24)13-19-22-20(25-23-19)18-5-3-4-16-14-21-9-6-17(16)18/h3-6,9,14-15H,2,7-8,10-13H2,1H3
InChIKeySPUFDPXFVUIHDP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.95
Rot. Bonds5

About 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56708391) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56708391
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCCCN1CCC(Cc2noc(-c3cccc4cnccc34)n2)CC1
InChIInChI=1S/C20H24N4O/c1-2-10-24-11-7-15(8-12-24)13-19-22-20(25-23-19)18-5-3-4-16-14-21-9-6-17(16)18/h3-6,9,14-15H,2,7-8,10-13H2,1H3
InChIKeySPUFDPXFVUIHDP-UHFFFAOYSA-N
XLogP3.95
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 56703730
5-(3-propan-2-yl-1,2-oxazol-5-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 72870819
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56894271
5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine
CID 71452073
cyclobutyl-[4-[(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 42692005
(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 61324776
5-[(2S)-piperidin-2-yl]-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56722200
N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-(isoquinolin-5-ylmethyl)-N-methylmethanamine
CID 25450190
3-[(1-methylpiperidin-4-yl)methyl]-5-(3-pyrazol-1-ylphenyl)-1,2,4-oxadiazole
CID 56708461
5-(2,2-dimethyloxan-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56706178

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56708391) is 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is CCCN1CCC(Cc2noc(-c3cccc4cnccc34)n2)CC1.
What is the InChIKey of 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is SPUFDPXFVUIHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-10-24-11-7-15(8-12-24)13-19-22-20(25-23-19)18-5-3-4-16-14-21-9-6-17(16)18/h3-6,9,14-15H,2,7-8,10-13H2,1H3.
What are the key properties of 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 336.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-5-yl-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56708391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).