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

C18H13N3O2 — CID 15956942

IUPAC5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc2ccccc2c1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C18H13N3O2/c1-22-15-10-9-12-6-2-3-7-13(12)16(15)18-20-17(21-23-18)14-8-4-5-11-19-14/h2-11H,1H3
InChIKeyCVRIZNZJBMATCZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.96
Rot. Bonds3

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

5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 15956942) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID15956942
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc2ccccc2c1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C18H13N3O2/c1-22-15-10-9-12-6-2-3-7-13(12)16(15)18-20-17(21-23-18)14-8-4-5-11-19-14/h2-11H,1H3
InChIKeyCVRIZNZJBMATCZ-UHFFFAOYSA-N
XLogP3.96
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 15956942) is 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole is COc1ccc2ccccc2c1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is CVRIZNZJBMATCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-22-15-10-9-12-6-2-3-7-13(12)16(15)18-20-17(21-23-18)14-8-4-5-11-19-14/h2-11H,1H3.
What are the key properties of 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 303.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 15956942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).