3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole

C17H17N3O3 — CID 655429

IUPAC3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(COC)n1
InChIInChI=1S/C17H17N3O3/c1-3-22-17-13(16-19-15(11-21-2)23-20-16)9-10-14(18-17)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
InChIKeyRYJFKUBNZBDBSA-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.34
Rot. Bonds6

About 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 655429) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID655429
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(COC)n1
InChIInChI=1S/C17H17N3O3/c1-3-22-17-13(16-19-15(11-21-2)23-20-16)9-10-14(18-17)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3
InChIKeyRYJFKUBNZBDBSA-UHFFFAOYSA-N
XLogP3.34
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-{5-[(2-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 874555
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 645766
2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-p-tolyl-pyridine
CID 653318
2-Methoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-phenyl-pyridine
CID 656230
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664369
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
5-Ethyl-3-(2-methoxy-6-methylpyridin-3-yl)-1,2,4-oxadiazole
CID 913826
2-Ethoxy-3-(5-methoxymethyl-[1,2,4]oxadiazol-3-yl)-6-p-tolyl-pyridine
CID 652883
3-(5-Cyclohexyl-1,2,4-oxadiazol-3-yl)-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 664779
3-{5-[(3-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 845224
2-{5-[(4-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 845228
Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-2-pyridinyl ether
CID 852897

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole (CID 655429) is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(COC)n1.
What is the InChIKey of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is RYJFKUBNZBDBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-22-17-13(16-19-15(11-21-2)23-20-16)9-10-14(18-17)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 311.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 655429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).