3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C11H10N4OS — CID 94069244

IUPAC3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2cc(-c3cccs3)[nH]n2)n1
InChIInChI=1S/C11H10N4OS/c1-2-10-12-11(16-15-10)8-6-7(13-14-8)9-4-3-5-17-9/h3-6H,2H2,1H3,(H,13,14)
InChIKeyZVQSRHNSJPCCDS-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.75
Rot. Bonds3

About 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 94069244) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID94069244
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2cc(-c3cccs3)[nH]n2)n1
InChIInChI=1S/C11H10N4OS/c1-2-10-12-11(16-15-10)8-6-7(13-14-8)9-4-3-5-17-9/h3-6H,2H2,1H3,(H,13,14)
InChIKeyZVQSRHNSJPCCDS-UHFFFAOYSA-N
XLogP2.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006
4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 1133765
3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
CID 122400627
3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171
2-ethyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-5-carboxamide
CID 50964431
5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole
CID 94069253
5-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334548
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47429703
N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66213913

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 94069244) is 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is CCc1noc(-c2cc(-c3cccs3)[nH]n2)n1.
What is the InChIKey of 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is ZVQSRHNSJPCCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-2-10-12-11(16-15-10)8-6-7(13-14-8)9-4-3-5-17-9/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 246.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 94069244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).