5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole

C21H17N3O — CID 164633286

IUPAC5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCC[C@H]2c1noc(-c2nccc3ccccc23)n1
InChIInChI=1S/C21H17N3O/c1-3-9-16-14(6-1)8-5-11-18(16)20-23-21(25-24-20)19-17-10-4-2-7-15(17)12-13-22-19/h1-4,6-7,9-10,12-13,18H,5,8,11H2/t18-/m1/s1
InChIKeyUQDVIVIFQDOAQO-GOSISDBHSA-N
MW327.39 g/mol
LogP4.75
Rot. Bonds2

About 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole

5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole (PubChem CID 164633286) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole
PubChem CID164633286
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCC[C@H]2c1noc(-c2nccc3ccccc23)n1
InChIInChI=1S/C21H17N3O/c1-3-9-16-14(6-1)8-5-11-18(16)20-23-21(25-24-20)19-17-10-4-2-7-15(17)12-13-22-19/h1-4,6-7,9-10,12-13,18H,5,8,11H2/t18-/m1/s1
InChIKeyUQDVIVIFQDOAQO-GOSISDBHSA-N
XLogP4.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole (CID 164633286) is 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole is c1ccc2c(c1)CCC[C@H]2c1noc(-c2nccc3ccccc23)n1.
What is the InChIKey of 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole?
The InChIKey is UQDVIVIFQDOAQO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17N3O/c1-3-9-16-14(6-1)8-5-11-18(16)20-23-21(25-24-20)19-17-10-4-2-7-15(17)12-13-22-19/h1-4,6-7,9-10,12-13,18H,5,8,11H2/t18-/m1/s1.
What are the key properties of 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole?
5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-1-yl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 164633286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).