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

C15H14N4O2 — CID 913909

IUPAC3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2ccncc2)n1
InChIInChI=1S/C15H14N4O2/c1-3-20-15-12(5-4-10(2)17-15)13-18-14(21-19-13)11-6-8-16-9-7-11/h4-9H,3H2,1-2H3
InChIKeyNVPAOMCVWRHFDJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.90
Rot. Bonds4

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

3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 913909) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID913909
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1nc(C)ccc1-c1noc(-c2ccncc2)n1
InChIInChI=1S/C15H14N4O2/c1-3-20-15-12(5-4-10(2)17-15)13-18-14(21-19-13)11-6-8-16-9-7-11/h4-9H,3H2,1-2H3
InChIKeyNVPAOMCVWRHFDJ-UHFFFAOYSA-N
XLogP2.90
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.90
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-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole (CID 913909) is 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole is CCOc1nc(C)ccc1-c1noc(-c2ccncc2)n1.
What is the InChIKey of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is NVPAOMCVWRHFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-3-20-15-12(5-4-10(2)17-15)13-18-14(21-19-13)11-6-8-16-9-7-11/h4-9H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 282.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 913909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).