2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole

C14H12N2OS — CID 90289831

IUPAC2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2cccc(-c3nnco3)c2)sc1C
InChIInChI=1S/C14H12N2OS/c1-9-6-13(18-10(9)2)11-4-3-5-12(7-11)14-16-15-8-17-14/h3-8H,1-2H3
InChIKeyBXHUAOQFBFINOA-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.08
Rot. Bonds2

About 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole

2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 90289831) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole
PubChem CID90289831
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2cccc(-c3nnco3)c2)sc1C
InChIInChI=1S/C14H12N2OS/c1-9-6-13(18-10(9)2)11-4-3-5-12(7-11)14-16-15-8-17-14/h3-8H,1-2H3
InChIKeyBXHUAOQFBFINOA-UHFFFAOYSA-N
XLogP4.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole (CID 90289831) is 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole is Cc1cc(-c2cccc(-c3nnco3)c2)sc1C.
What is the InChIKey of 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is BXHUAOQFBFINOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-6-13(18-10(9)2)11-4-3-5-12(7-11)14-16-15-8-17-14/h3-8H,1-2H3.
What are the key properties of 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole?
2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 256.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dimethylthiophen-2-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 90289831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).