3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole

C13H9N3O — CID 69178344

IUPAC3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2cncc(-c3ncon3)c2)cc1
InChIInChI=1S/C13H9N3O/c1-2-4-10(5-3-1)11-6-12(8-14-7-11)13-15-9-17-16-13/h1-9H
InChIKeyKNCMKDOUUPKAHT-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.80
Rot. Bonds2

About 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole

3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 69178344) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID69178344
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2cncc(-c3ncon3)c2)cc1
InChIInChI=1S/C13H9N3O/c1-2-4-10(5-3-1)11-6-12(8-14-7-11)13-15-9-17-16-13/h1-9H
InChIKeyKNCMKDOUUPKAHT-UHFFFAOYSA-N
XLogP2.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 69178344) is 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole is c1ccc(-c2cncc(-c3ncon3)c2)cc1.
What is the InChIKey of 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is KNCMKDOUUPKAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c1-2-4-10(5-3-1)11-6-12(8-14-7-11)13-15-9-17-16-13/h1-9H.
What are the key properties of 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 223.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 69178344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).