5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole

C19H20N4O — CID 154769724

IUPAC5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
SMILESc1ccc2c(-c3noc(C4CCC5CCCCN54)n3)nccc2c1
InChIInChI=1S/C19H20N4O/c1-2-7-15-13(5-1)10-11-20-17(15)18-21-19(24-22-18)16-9-8-14-6-3-4-12-23(14)16/h1-2,5,7,10-11,14,16H,3-4,6,8-9,12H2
InChIKeyNVHWBNYBBPGQNZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.97
Rot. Bonds2

About 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole

5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole (PubChem CID 154769724) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
PubChem CID154769724
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
SMILESc1ccc2c(-c3noc(C4CCC5CCCCN54)n3)nccc2c1
InChIInChI=1S/C19H20N4O/c1-2-7-15-13(5-1)10-11-20-17(15)18-21-19(24-22-18)16-9-8-14-6-3-4-12-23(14)16/h1-2,5,7,10-11,14,16H,3-4,6,8-9,12H2
InChIKeyNVHWBNYBBPGQNZ-UHFFFAOYSA-N
XLogP3.97
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63949890
3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)thiane 1,1-dioxide
CID 126840136
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-methylpiperidine-1-sulfonamide
CID 126802572
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 63948617
1-cyclopropyl-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
CID 63950495
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 120834903
(2R)-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120834902
5-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 75131458
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63947643
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 139000989
5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 162799188
3-isoquinolin-1-yl-1,2,4-oxadiazole-5-carbaldehyde
CID 63949892

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole (CID 154769724) is 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole is c1ccc2c(-c3noc(C4CCC5CCCCN54)n3)nccc2c1.
What is the InChIKey of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole?
The InChIKey is NVHWBNYBBPGQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-7-15-13(5-1)10-11-20-17(15)18-21-19(24-22-18)16-9-8-14-6-3-4-12-23(14)16/h1-2,5,7,10-11,14,16H,3-4,6,8-9,12H2.
What are the key properties of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole?
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 154769724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).