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

C15H9N3O2 — CID 29134228

IUPAC2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(-c3cc4ccccc4o3)o2)c1
InChIInChI=1S/C15H9N3O2/c1-2-6-12-10(4-1)8-13(19-12)15-18-17-14(20-15)11-5-3-7-16-9-11/h1-9H
InChIKeyPJYLXCUNJMRDAD-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.54
Rot. Bonds2

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

2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 29134228) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID29134228
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(-c3cc4ccccc4o3)o2)c1
InChIInChI=1S/C15H9N3O2/c1-2-6-12-10(4-1)8-13(19-12)15-18-17-14(20-15)11-5-3-7-16-9-11/h1-9H
InChIKeyPJYLXCUNJMRDAD-UHFFFAOYSA-N
XLogP3.54
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 29134228) is 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc(-c3cc4ccccc4o3)o2)c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is PJYLXCUNJMRDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c1-2-6-12-10(4-1)8-13(19-12)15-18-17-14(20-15)11-5-3-7-16-9-11/h1-9H.
What are the key properties of 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 263.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 29134228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).