2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile

C18H8N4O2S — CID 100661706

IUPAC2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1Sc1nnc(-c2cc3ccccc3o2)o1
InChIInChI=1S/C18H8N4O2S/c19-9-12-5-3-6-13(10-20)16(12)25-18-22-21-17(24-18)15-8-11-4-1-2-7-14(11)23-15/h1-8H
InChIKeyZEASEGZMZRFCPU-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.38
Rot. Bonds3

About 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile

2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile (PubChem CID 100661706) has the molecular formula C18H8N4O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile
PubChem CID100661706
Molecular FormulaC18H8N4O2S
Molecular Weight344.36 g/mol
Exact Mass344.04
IUPAC Name2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1Sc1nnc(-c2cc3ccccc3o2)o1
InChIInChI=1S/C18H8N4O2S/c19-9-12-5-3-6-13(10-20)16(12)25-18-22-21-17(24-18)15-8-11-4-1-2-7-14(11)23-15/h1-8H
InChIKeyZEASEGZMZRFCPU-UHFFFAOYSA-N
XLogP4.38
TPSA99.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile 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-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pentanenitrile
CID 71917145
methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate
CID 133428900
3-(1-benzofuran-2-yl)benzonitrile
CID 12624585
2-(1-benzofuran-2-yl)-5-[(3R)-1-benzylpyrrolidin-3-yl]sulfanyl-1,3,4-oxadiazole
CID 124728837
6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 54261838
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 40957658
6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 71921724
N-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138314
2-[5-(2-bromoethyl)-1-benzofuran-2-yl]benzonitrile
CID 174315644
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392546
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 40957457

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile (CID 100661706) is 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1Sc1nnc(-c2cc3ccccc3o2)o1.
What is the InChIKey of 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile?
The InChIKey is ZEASEGZMZRFCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8N4O2S/c19-9-12-5-3-6-13(10-20)16(12)25-18-22-21-17(24-18)15-8-11-4-1-2-7-14(11)23-15/h1-8H.
What are the key properties of 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile?
2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile has a molecular weight of 344.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 100661706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).