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

C22H19N3O3 — CID 986623

IUPAC3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2OC)n1
InChIInChI=1S/C22H19N3O3/c1-3-27-21-17(13-14-18(23-21)15-9-5-4-6-10-15)20-24-22(28-25-20)16-11-7-8-12-19(16)26-2/h4-14H,3H2,1-2H3
InChIKeyOAOCOYYDTYSNDC-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.87
Rot. Bonds6

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

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 986623) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID986623
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2OC)n1
InChIInChI=1S/C22H19N3O3/c1-3-27-21-17(13-14-18(23-21)15-9-5-4-6-10-15)20-24-22(28-25-20)16-11-7-8-12-19(16)26-2/h4-14H,3H2,1-2H3
InChIKeyOAOCOYYDTYSNDC-UHFFFAOYSA-N
XLogP4.87
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 664819
5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 2005312
3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2018296
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 5176334
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
3-[2-ethoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 913860
3-[2-ethoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913863
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 664499
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2017608
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 986623) is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2OC)n1.
What is the InChIKey of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is OAOCOYYDTYSNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-3-27-21-17(13-14-18(23-21)15-9-5-4-6-10-15)20-24-22(28-25-20)16-11-7-8-12-19(16)26-2/h4-14H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 373.41 g/mol, XLogP of 4.87, 6 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-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 986623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).