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

C12H15N3O2 — CID 852897

IUPAC3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(CC)n1
InChIInChI=1S/C12H15N3O2/c1-4-10-14-11(15-17-10)9-7-6-8(3)13-12(9)16-5-2/h6-7H,4-5H2,1-3H3
InChIKeyOFAWZDSIKHTRLS-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.40
Rot. Bonds4

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

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole (PubChem CID 852897) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole
PubChem CID852897
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(CC)n1
InChIInChI=1S/C12H15N3O2/c1-4-10-14-11(15-17-10)9-7-6-8(3)13-12(9)16-5-2/h6-7H,4-5H2,1-3H3
InChIKeyOFAWZDSIKHTRLS-UHFFFAOYSA-N
XLogP2.40
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole (CID 852897) is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole is CCOc1nc(C)ccc1-c1noc(CC)n1.
What is the InChIKey of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole?
The InChIKey is OFAWZDSIKHTRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-10-14-11(15-17-10)9-7-6-8(3)13-12(9)16-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole?
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-ethyl-1,2,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 2.40, 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-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 852897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).