3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole

C18H19N3O3 — CID 652883

IUPAC3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(COC)n1
InChIInChI=1S/C18H19N3O3/c1-4-23-18-14(17-20-16(11-22-3)24-21-17)9-10-15(19-18)13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3
InChIKeyAJULMKOYGZKXQL-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.65
Rot. Bonds6

About 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole

3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 652883) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID652883
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(COC)n1
InChIInChI=1S/C18H19N3O3/c1-4-23-18-14(17-20-16(11-22-3)24-21-17)9-10-15(19-18)13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3
InChIKeyAJULMKOYGZKXQL-UHFFFAOYSA-N
XLogP3.65
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole (CID 652883) is 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole is CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(COC)n1.
What is the InChIKey of 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is AJULMKOYGZKXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-23-18-14(17-20-16(11-22-3)24-21-17)9-10-15(19-18)13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3.
What are the key properties of 3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole?
3-[2-ethoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 3.65, 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-(4-methylphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 652883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).