3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole

C19H15N3O2S — CID 852900

IUPAC3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C19H15N3O2S/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(24-22-17)16-9-6-12-25-16/h3-12H,2H2,1H3
InChIKeyGJLOFTBTEQBODT-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.93
Rot. Bonds5

About 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 852900) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID852900
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C19H15N3O2S/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(24-22-17)16-9-6-12-25-16/h3-12H,2H2,1H3
InChIKeyGJLOFTBTEQBODT-UHFFFAOYSA-N
XLogP4.93
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Methoxy-6-methylpyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 852902
3-[2-Methoxy-6-(4-methoxyphenyl)-3-pyridyl]-5-(2-thienyl)-1,2,4-oxadiazole
CID 664482
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
2-Methoxy-6-phenyl-3-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 913801
2-Methoxy-6-(3-methoxyphenyl)-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 1091867
6-(4-Chlorophenyl)-2-methoxy-3-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2000920
3-[2-Ethoxy-6-(4-methylphenyl)pyridin-3-yl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 1873710
2-Ethoxy-3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
CID 4112916
2-Ethoxy-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
CID 2211487
2-Ethoxy-3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-methylpyridine
CID 913881
2-Ethoxy-6-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 913873
2-ethoxy-N-(2-((3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)methyl)phenyl)nicotinamide
CID 71800648

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 852900) is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1.
What is the InChIKey of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is GJLOFTBTEQBODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(24-22-17)16-9-6-12-25-16/h3-12H,2H2,1H3.
What are the key properties of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 349.42 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 852900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).