5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile

C12H6N4OS — CID 103734590

IUPAC5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccncc3)no2)s1
InChIInChI=1S/C12H6N4OS/c13-7-9-1-2-10(18-9)12-15-11(16-17-12)8-3-5-14-6-4-8/h1-6H
InChIKeyVOAKWLICIUNYPU-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.73
Rot. Bonds2

About 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile

5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile (PubChem CID 103734590) has the molecular formula C12H6N4OS and a molecular weight of 254.27 g/mol. Its IUPAC name is 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
PubChem CID103734590
Molecular FormulaC12H6N4OS
Molecular Weight254.27 g/mol
Exact Mass254.03
IUPAC Name5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccncc3)no2)s1
InChIInChI=1S/C12H6N4OS/c13-7-9-1-2-10(18-9)12-15-11(16-17-12)8-3-5-14-6-4-8/h1-6H
InChIKeyVOAKWLICIUNYPU-UHFFFAOYSA-N
XLogP2.73
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-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

5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106525170
5-[3-(3,4-dihydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 136889611
5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 136871100
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104676908
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104677138
5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734562
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106527814
5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106527356
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106526435

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile?
The IUPAC name of 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile (CID 103734590) is 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile is N#Cc1ccc(-c2nc(-c3ccncc3)no2)s1.
What is the InChIKey of 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile?
The InChIKey is VOAKWLICIUNYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4OS/c13-7-9-1-2-10(18-9)12-15-11(16-17-12)8-3-5-14-6-4-8/h1-6H.
What are the key properties of 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile?
5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile has a molecular weight of 254.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 103734590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).