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

C12H8N2OS — CID 718746

IUPAC5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)12-13-11(14-15-12)10-7-4-8-16-10/h1-8H
InChIKeyKFGNAHMEUXWCRT-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.47
Rot. Bonds2

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

5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 718746) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID718746
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)12-13-11(14-15-12)10-7-4-8-16-10/h1-8H
InChIKeyKFGNAHMEUXWCRT-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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole (CID 718746) is 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole is c1ccc(-c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is KFGNAHMEUXWCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c1-2-5-9(6-3-1)12-13-11(14-15-12)10-7-4-8-16-10/h1-8H.
What are the key properties of 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole?
5-phenyl-3-thiophen-2-yl-1,2,4-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 5-phenyl-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 718746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).