3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole

C18H12ClN3O2S — CID 2000920

IUPAC3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C18H12ClN3O2S/c1-23-17-13(16-21-18(24-22-16)15-3-2-10-25-15)8-9-14(20-17)11-4-6-12(19)7-5-11/h2-10H,1H3
InChIKeyZBGMQJPUYUBZBH-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.19
Rot. Bonds4

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

3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 2000920) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID2000920
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC Name3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2cccs2)n1
InChIInChI=1S/C18H12ClN3O2S/c1-23-17-13(16-21-18(24-22-16)15-3-2-10-25-15)8-9-14(20-17)11-4-6-12(19)7-5-11/h2-10H,1H3
InChIKeyZBGMQJPUYUBZBH-UHFFFAOYSA-N
XLogP5.19
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.19
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
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
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 852900
6-(4-Chlorophenyl)-3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxypyridine
CID 2012085
Pyridine, 2-ethoxy-6-methyl-3-(5-thiophen-2-yl-[1,2,4]oxadiazol-3-yl)-
CID 852898
3-[5-(2-Chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-methylpyridine
CID 913804
5-(4-Chlorophenyl)-3-(2-methoxy-6-methylpyridin-3-yl)-1,2,4-oxadiazole
CID 913805
6-(4-Chlorophenyl)-2-methoxy-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 913867
3-(6-(4-Chlorophenyl)-2-methoxypyridin-3-yl)-5-ethyl-1,2,4-oxadiazole
CID 913870
3-[6-(4-Chlorophenyl)-2-methoxypyridin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 913871

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 2000920) is 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole is COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2cccs2)n1.
What is the InChIKey of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is ZBGMQJPUYUBZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c1-23-17-13(16-21-18(24-22-16)15-3-2-10-25-15)8-9-14(20-17)11-4-6-12(19)7-5-11/h2-10H,1H3.
What are the key properties of 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 369.83 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2000920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).