5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole

C17H11N3O — CID 956345

IUPAC5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc2c(-c3nc(-c4ccncc4)no3)cccc2c1
InChIInChI=1S/C17H11N3O/c1-2-6-14-12(4-1)5-3-7-15(14)17-19-16(20-21-17)13-8-10-18-11-9-13/h1-11H
InChIKeyNXGVDNRYEQZTQI-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.95
Rot. Bonds2

About 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole

5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 956345) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID956345
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESc1ccc2c(-c3nc(-c4ccncc4)no3)cccc2c1
InChIInChI=1S/C17H11N3O/c1-2-6-14-12(4-1)5-3-7-15(14)17-19-16(20-21-17)13-8-10-18-11-9-13/h1-11H
InChIKeyNXGVDNRYEQZTQI-UHFFFAOYSA-N
XLogP3.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole (CID 956345) is 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole is c1ccc2c(-c3nc(-c4ccncc4)no3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is NXGVDNRYEQZTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c1-2-6-14-12(4-1)5-3-7-15(14)17-19-16(20-21-17)13-8-10-18-11-9-13/h1-11H.
What are the key properties of 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 273.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 956345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).