6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

C16H8N4O2 — CID 71921724

IUPAC6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3cc4ccccc4o3)no2)nc1
InChIInChI=1S/C16H8N4O2/c17-8-10-5-6-12(18-9-10)16-19-15(20-22-16)14-7-11-3-1-2-4-13(11)21-14/h1-7,9H
InChIKeyMUAAGJOIXFSHHW-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.42
Rot. Bonds2

About 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (PubChem CID 71921724) has the molecular formula C16H8N4O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
PubChem CID71921724
Molecular FormulaC16H8N4O2
Molecular Weight288.27 g/mol
Exact Mass288.06
IUPAC Name6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3cc4ccccc4o3)no2)nc1
InChIInChI=1S/C16H8N4O2/c17-8-10-5-6-12(18-9-10)16-19-15(20-22-16)14-7-11-3-1-2-4-13(11)21-14/h1-7,9H
InChIKeyMUAAGJOIXFSHHW-UHFFFAOYSA-N
XLogP3.42
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 167961435
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 112572198
6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526743
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265
6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 63748661
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845259
4-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106524747
3-(1-benzofuran-2-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 63091500
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 63748662

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile (CID 71921724) is 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is N#Cc1ccc(-c2nc(-c3cc4ccccc4o3)no2)nc1.
What is the InChIKey of 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
The InChIKey is MUAAGJOIXFSHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N4O2/c17-8-10-5-6-12(18-9-10)16-19-15(20-22-16)14-7-11-3-1-2-4-13(11)21-14/h1-7,9H.
What are the key properties of 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile?
6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile has a molecular weight of 288.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 71921724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).