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

C17H17N3O2 — CID 913873

IUPAC3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C17H17N3O2/c1-4-21-17-14(9-8-12(3)18-17)15-19-16(22-20-15)13-7-5-6-11(2)10-13/h5-10H,4H2,1-3H3
InChIKeyBYZRAIOOTPFZGN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.81
Rot. Bonds4

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

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 913873) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID913873
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C17H17N3O2/c1-4-21-17-14(9-8-12(3)18-17)15-19-16(22-20-15)13-7-5-6-11(2)10-13/h5-10H,4H2,1-3H3
InChIKeyBYZRAIOOTPFZGN-UHFFFAOYSA-N
XLogP3.81
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cenerimod
CID 49871973
5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 645805
5-(2-Ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 648645
2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-p-tolyl-pyridine
CID 653318
3-(2-Ethoxy-6-methylpyridin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 655513
2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-phenyl-pyridine
CID 656230
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole (CID 913873) is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole is CCOc1nc(C)ccc1-c1noc(-c2cccc(C)c2)n1.
What is the InChIKey of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BYZRAIOOTPFZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-4-21-17-14(9-8-12(3)18-17)15-19-16(22-20-15)13-7-5-6-11(2)10-13/h5-10H,4H2,1-3H3.
What are the key properties of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 295.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 913873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).