2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole

C13H10N2OS — CID 1488527

IUPAC2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2cccs2)o1
InChIInChI=1S/C13H10N2OS/c1-9-5-2-3-6-10(9)12-14-15-13(16-12)11-7-4-8-17-11/h2-8H,1H3
InChIKeyWKHARVRZODHSHE-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.77
Rot. Bonds2

About 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole

2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 1488527) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID1488527
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(-c2cccs2)o1
InChIInChI=1S/C13H10N2OS/c1-9-5-2-3-6-10(9)12-14-15-13(16-12)11-7-4-8-17-11/h2-8H,1H3
InChIKeyWKHARVRZODHSHE-UHFFFAOYSA-N
XLogP3.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 1488527) is 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is WKHARVRZODHSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-5-2-3-6-10(9)12-14-15-13(16-12)11-7-4-8-17-11/h2-8H,1H3.
What are the key properties of 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 242.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 1488527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).