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

C21H16FN3O3 — CID 2021036

IUPAC5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)cc1
InChIInChI=1S/C21H16FN3O3/c1-26-14-9-7-13(8-10-14)18-12-11-16(20(23-18)27-2)19-24-21(28-25-19)15-5-3-4-6-17(15)22/h3-12H,1-2H3
InChIKeyVMXKUTXOQMFZQT-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.62
Rot. Bonds5

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

5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 2021036) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID2021036
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)cc1
InChIInChI=1S/C21H16FN3O3/c1-26-14-9-7-13(8-10-14)18-12-11-16(20(23-18)27-2)19-24-21(28-25-19)15-5-3-4-6-17(15)22/h3-12H,1-2H3
InChIKeyVMXKUTXOQMFZQT-UHFFFAOYSA-N
XLogP4.62
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
3-[5-(4-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 678423
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
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
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
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 913814

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole (CID 2021036) is 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is COc1ccc(-c2ccc(-c3noc(-c4ccccc4F)n3)c(OC)n2)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is VMXKUTXOQMFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-26-14-9-7-13(8-10-14)18-12-11-16(20(23-18)27-2)19-24-21(28-25-19)15-5-3-4-6-17(15)22/h3-12H,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 377.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2021036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).