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

C18H13N3O2S — CID 913801

IUPAC3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C18H13N3O2S/c1-22-17-13(9-10-14(19-17)12-6-3-2-4-7-12)16-20-18(23-21-16)15-8-5-11-24-15/h2-11H,1H3
InChIKeySWKJLQGVZJSPKI-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.54
Rot. Bonds4

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

3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 913801) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID913801
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C18H13N3O2S/c1-22-17-13(9-10-14(19-17)12-6-3-2-4-7-12)16-20-18(23-21-16)15-8-5-11-24-15/h2-11H,1H3
InChIKeySWKJLQGVZJSPKI-UHFFFAOYSA-N
XLogP4.54
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.54
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)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-phenylpyridine
CID 664462
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-(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-phenylpyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 852900
5-(4-Fluorophenyl)-3-(2-methoxy-6-phenylpyridin-3-yl)-1,2,4-oxadiazole
CID 664766
5-(2-Fluorophenyl)-3-(2-methoxy-6-methylpyridin-3-yl)-1,2,4-oxadiazole
CID 913790
3-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine
CID 15991346
2-methoxy-N-{[5-(2-thienylmethyl)-1,2,4-oxadiazol-3-yl]methyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72866403

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole (CID 913801) is 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole is COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccs2)n1.
What is the InChIKey of 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is SWKJLQGVZJSPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-22-17-13(9-10-14(19-17)12-6-3-2-4-7-12)16-20-18(23-21-16)15-8-5-11-24-15/h2-11H,1H3.
What are the key properties of 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole?
3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 335.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-phenyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 913801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).