5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole

C17H17N3O3 — CID 648645

IUPAC5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1
InChIInChI=1S/C17H17N3O3/c1-4-22-14-8-6-5-7-12(14)17-19-15(20-23-17)13-10-9-11(2)18-16(13)21-3/h5-10H,4H2,1-3H3
InChIKeyGMNZZFOHRVUORQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.51
Rot. Bonds5

About 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole

5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 648645) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID648645
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1
InChIInChI=1S/C17H17N3O3/c1-4-22-14-8-6-5-7-12(14)17-19-15(20-23-17)13-10-9-11(2)18-16(13)21-3/h5-10H,4H2,1-3H3
InChIKeyGMNZZFOHRVUORQ-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
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
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 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 648645) is 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is GMNZZFOHRVUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-22-14-8-6-5-7-12(14)17-19-15(20-23-17)13-10-9-11(2)18-16(13)21-3/h5-10H,4H2,1-3H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-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 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 648645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).