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

C20H16N4O3 — CID 664211

IUPAC3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)c(OC)n2)cc1
InChIInChI=1S/C20H16N4O3/c1-25-15-5-3-13(4-6-15)17-8-7-16(20(22-17)26-2)18-23-19(27-24-18)14-9-11-21-12-10-14/h3-12H,1-2H3
InChIKeyVLJYTUSYRZMTST-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.88
Rot. Bonds5

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

3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 664211) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID664211
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)c(OC)n2)cc1
InChIInChI=1S/C20H16N4O3/c1-25-15-5-3-13(4-6-15)17-8-7-16(20(22-17)26-2)18-23-19(27-24-18)14-9-11-21-12-10-14/h3-12H,1-2H3
InChIKeyVLJYTUSYRZMTST-UHFFFAOYSA-N
XLogP3.88
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 1297936
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 664499
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 664819
5-(2-chlorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2017608
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
3-[6-(4-chlorophenyl)-2-methoxy-3-pyridinyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 913867
5-(2-chlorophenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 1294892
5-(2-bromophenyl)-3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 2029273
5-ethyl-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 913837
3-[2-methoxy-6-(3-methoxyphenyl)-3-pyridinyl]-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2018296
3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-propyl-1,2,4-oxadiazole
CID 913836

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole (CID 664211) is 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)c(OC)n2)cc1.
What is the InChIKey of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is VLJYTUSYRZMTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-25-15-5-3-13(4-6-15)17-8-7-16(20(22-17)26-2)18-23-19(27-24-18)14-9-11-21-12-10-14/h3-12H,1-2H3.
What are the key properties of 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole?
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 360.37 g/mol, XLogP of 3.88, 5 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-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 664211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).