3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole

C22H19N3O4 — CID 663914

IUPAC3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4cccc(OC)c4)n3)c(OC)n2)cc1
InChIInChI=1S/C22H19N3O4/c1-26-16-9-7-14(8-10-16)19-12-11-18(22(23-19)28-3)20-24-21(29-25-20)15-5-4-6-17(13-15)27-2/h4-13H,1-3H3
InChIKeyQUWVDXBWINCCSH-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.49
Rot. Bonds6

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

3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 663914) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID663914
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4cccc(OC)c4)n3)c(OC)n2)cc1
InChIInChI=1S/C22H19N3O4/c1-26-16-9-7-14(8-10-16)19-12-11-18(22(23-19)28-3)20-24-21(29-25-20)15-5-4-6-17(13-15)27-2/h4-13H,1-3H3
InChIKeyQUWVDXBWINCCSH-UHFFFAOYSA-N
XLogP4.49
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

Cenerimod
CID 49871973
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
5-(2-Ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 648645
3-(2-Ethoxy-6-methylpyridin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 655513
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664369
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
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664499

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 663914) is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3noc(-c4cccc(OC)c4)n3)c(OC)n2)cc1.
What is the InChIKey of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is QUWVDXBWINCCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-26-16-9-7-14(8-10-16)19-12-11-18(22(23-19)28-3)20-24-21(29-25-20)15-5-4-6-17(13-15)27-2/h4-13H,1-3H3.
What are the key properties of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 389.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 663914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).