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

C16H12N4OS — CID 53138467

IUPAC3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C16H12N4OS/c1-20-13(7-8-17-20)11-4-2-5-12(10-11)15-18-16(21-19-15)14-6-3-9-22-14/h2-10H,1H3
InChIKeyWRTQPLOUVWLKFW-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.87
Rot. Bonds3

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

3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53138467) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53138467
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCn1nccc1-c1cccc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C16H12N4OS/c1-20-13(7-8-17-20)11-4-2-5-12(10-11)15-18-16(21-19-15)14-6-3-9-22-14/h2-10H,1H3
InChIKeyWRTQPLOUVWLKFW-UHFFFAOYSA-N
XLogP3.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53138467) is 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is Cn1nccc1-c1cccc(-c2noc(-c3cccs3)n2)c1.
What is the InChIKey of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is WRTQPLOUVWLKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-20-13(7-8-17-20)11-4-2-5-12(10-11)15-18-16(21-19-15)14-6-3-9-22-14/h2-10H,1H3.
What are the key properties of 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 308.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53138467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).