5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

C11H5N3O2S — CID 106525170

IUPAC5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccoc3)no2)s1
InChIInChI=1S/C11H5N3O2S/c12-5-8-1-2-9(17-8)11-13-10(14-16-11)7-3-4-15-6-7/h1-4,6H
InChIKeyCNYMRPAPUWOXED-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.93
Rot. Bonds2

About 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (PubChem CID 106525170) has the molecular formula C11H5N3O2S and a molecular weight of 243.25 g/mol. Its IUPAC name is 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
PubChem CID106525170
Molecular FormulaC11H5N3O2S
Molecular Weight243.25 g/mol
Exact Mass243.01
IUPAC Name5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccoc3)no2)s1
InChIInChI=1S/C11H5N3O2S/c12-5-8-1-2-9(17-8)11-13-10(14-16-11)7-3-4-15-6-7/h1-4,6H
InChIKeyCNYMRPAPUWOXED-UHFFFAOYSA-N
XLogP2.93
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(furan-3-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-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734590
5-[3-(3,4-dihydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 136889611
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104676908
5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 136871100
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
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
4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106525160
5-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106527356
6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 65348489
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (CID 106525170) is 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is N#Cc1ccc(-c2nc(-c3ccoc3)no2)s1.
What is the InChIKey of 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The InChIKey is CNYMRPAPUWOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O2S/c12-5-8-1-2-9(17-8)11-13-10(14-16-11)7-3-4-15-6-7/h1-4,6H.
What are the key properties of 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile has a molecular weight of 243.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 106525170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).