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

C17H17N3O3 — CID 655513

IUPAC3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2ccccc2OC)n1
InChIInChI=1S/C17H17N3O3/c1-4-22-16-13(10-9-11(2)18-16)15-19-17(23-20-15)12-7-5-6-8-14(12)21-3/h5-10H,4H2,1-3H3
InChIKeyKHQRPUXFBUIVRP-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.51
Rot. Bonds5

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

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 655513) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID655513
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2ccccc2OC)n1
InChIInChI=1S/C17H17N3O3/c1-4-22-16-13(10-9-11(2)18-16)15-19-17(23-20-15)12-7-5-6-8-14(12)21-3/h5-10H,4H2,1-3H3
InChIKeyKHQRPUXFBUIVRP-UHFFFAOYSA-N
XLogP3.51
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cenerimod
CID 49871973
4-[5-(2-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 891438
5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
5-(2-Ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 648645
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
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
2-Methoxy-6-methyl-3-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 1091863
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 2021036

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 655513) is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is CCOc1nc(C)ccc1-c1noc(-c2ccccc2OC)n1.
What is the InChIKey of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is KHQRPUXFBUIVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-22-16-13(10-9-11(2)18-16)15-19-17(23-20-15)12-7-5-6-8-14(12)21-3/h5-10H,4H2,1-3H3.
What are the key properties of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 311.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 655513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).