3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole

C22H15N3O2 — CID 15956993

IUPAC3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2ccccc2c1-c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C22H15N3O2/c1-26-18-11-10-14-6-2-4-8-16(14)19(18)22-24-21(25-27-22)20-17-9-5-3-7-15(17)12-13-23-20/h2-13H,1H3
InChIKeyNWLMZGUSAPDWTH-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.11
Rot. Bonds3

About 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole

3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole (PubChem CID 15956993) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole
PubChem CID15956993
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole
SMILESCOc1ccc2ccccc2c1-c1nc(-c2nccc3ccccc23)no1
InChIInChI=1S/C22H15N3O2/c1-26-18-11-10-14-6-2-4-8-16(14)19(18)22-24-21(25-27-22)20-17-9-5-3-7-15(17)12-13-23-20/h2-13H,1H3
InChIKeyNWLMZGUSAPDWTH-UHFFFAOYSA-N
XLogP5.11
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole (CID 15956993) is 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole is COc1ccc2ccccc2c1-c1nc(-c2nccc3ccccc23)no1.
What is the InChIKey of 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole?
The InChIKey is NWLMZGUSAPDWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c1-26-18-11-10-14-6-2-4-8-16(14)19(18)22-24-21(25-27-22)20-17-9-5-3-7-15(17)12-13-23-20/h2-13H,1H3.
What are the key properties of 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole?
3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole has a molecular weight of 353.38 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 15956993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).