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

C17H14N4OS — CID 53138563

IUPAC3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCn1nccc1-c1cccc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C17H14N4OS/c1-2-21-14(8-9-18-21)12-5-3-6-13(11-12)16-19-17(22-20-16)15-7-4-10-23-15/h3-11H,2H2,1H3
InChIKeyGAYAGCOLULWFRK-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.35
Rot. Bonds4

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

3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53138563) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53138563
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCn1nccc1-c1cccc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C17H14N4OS/c1-2-21-14(8-9-18-21)12-5-3-6-13(11-12)16-19-17(22-20-16)15-7-4-10-23-15/h3-11H,2H2,1H3
InChIKeyGAYAGCOLULWFRK-UHFFFAOYSA-N
XLogP4.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138557
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324384
3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53172758
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53138548
5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332783
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53138490
N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53043089
5-[1-(3-chlorophenoxy)ethyl]-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53012119
3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 25191147
(4S)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95094188
5-(5-thiophen-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 3590717

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53138563) is 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is CCn1nccc1-c1cccc(-c2noc(-c3cccs3)n2)c1.
What is the InChIKey of 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is GAYAGCOLULWFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-2-21-14(8-9-18-21)12-5-3-6-13(11-12)16-19-17(22-20-16)15-7-4-10-23-15/h3-11H,2H2,1H3.
What are the key properties of 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 322.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53138563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).