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

C17H11N3O — CID 6462835

IUPAC5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C17H11N3O/c1-2-5-13-10-14(8-7-12(13)4-1)17-19-16(20-21-17)15-6-3-9-18-11-15/h1-11H
InChIKeyTVVPNYVYLPHGEZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.95
Rot. Bonds2

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

5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 6462835) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID6462835
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C17H11N3O/c1-2-5-13-10-14(8-7-12(13)4-1)17-19-16(20-21-17)15-6-3-9-18-11-15/h1-11H
InChIKeyTVVPNYVYLPHGEZ-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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Related Compounds

5-Naphthalen-1-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 757874
NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10198810
2-(5-Biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 838877
4-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 867088
5-Naphthalen-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 926663
5-[2-(1-Phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56949269
5-(2-Methyl-3-nitrophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 699759

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole (CID 6462835) is 5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2noc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is TVVPNYVYLPHGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c1-2-5-13-10-14(8-7-12(13)4-1)17-19-16(20-21-17)15-6-3-9-18-11-15/h1-11H.
What are the key properties of 5-naphthalen-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole?
5-naphthalen-2-yl-3-pyridin-3-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-2-yl-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 6462835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).