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

C14H12N4O2 — CID 913829

IUPAC3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2ccccn2)n1
InChIInChI=1S/C14H12N4O2/c1-9-6-7-10(13(16-9)19-2)12-17-14(20-18-12)11-5-3-4-8-15-11/h3-8H,1-2H3
InChIKeyAEWGUCSORXEJIR-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.51
Rot. Bonds3

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

3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 913829) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID913829
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2ccccn2)n1
InChIInChI=1S/C14H12N4O2/c1-9-6-7-10(13(16-9)19-2)12-17-14(20-18-12)11-5-3-4-8-15-11/h3-8H,1-2H3
InChIKeyAEWGUCSORXEJIR-UHFFFAOYSA-N
XLogP2.51
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 645805
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
3-(2-Ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
CID 664958
3-(2-Ethoxy-6-methylpyridin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 913909
3-Phenyl-5-(2-pyridyl)-1,2,4-oxadiazole
CID 851444
2-[5-(2-Methoxyphenyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 912656
N-methyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
CID 138549833
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 138549840
N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
CID 138549843
N-methyl-4-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
CID 142752190
3-(2-Methoxy-6-methylpyridin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 913807

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole (CID 913829) is 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole is COc1nc(C)ccc1-c1noc(-c2ccccn2)n1.
What is the InChIKey of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is AEWGUCSORXEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-6-7-10(13(16-9)19-2)12-17-14(20-18-12)11-5-3-4-8-15-11/h3-8H,1-2H3.
What are the key properties of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 268.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 913829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).