2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole

C12H8N2OS — CID 598894

IUPAC2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)11-13-14-12(15-11)10-7-4-8-16-10/h1-8H
InChIKeyZYDSVVJOKWROPS-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.47
Rot. Bonds2

About 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole

2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 598894) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID598894
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)11-13-14-12(15-11)10-7-4-8-16-10/h1-8H
InChIKeyZYDSVVJOKWROPS-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole (CID 598894) is 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is ZYDSVVJOKWROPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)11-13-14-12(15-11)10-7-4-8-16-10/h1-8H.
What are the key properties of 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole?
2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 228.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 598894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).