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

C11H13N3O2 — CID 913826

IUPAC5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(C)nc2OC)no1
InChIInChI=1S/C11H13N3O2/c1-4-9-13-10(14-16-9)8-6-5-7(2)12-11(8)15-3/h5-6H,4H2,1-3H3
InChIKeyJRBRCCYOJOUEBP-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.01
Rot. Bonds3

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

5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 913826) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID913826
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(C)nc2OC)no1
InChIInChI=1S/C11H13N3O2/c1-4-9-13-10(14-16-9)8-6-5-7(2)12-11(8)15-3/h5-6H,4H2,1-3H3
InChIKeyJRBRCCYOJOUEBP-UHFFFAOYSA-N
XLogP2.01
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 913826) is 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is CCc1nc(-c2ccc(C)nc2OC)no1.
What is the InChIKey of 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is JRBRCCYOJOUEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-9-13-10(14-16-9)8-6-5-7(2)12-11(8)15-3/h5-6H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 219.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 913826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).