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

C14H12N4O2 — CID 913807

IUPAC3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C14H12N4O2/c1-9-5-6-11(14(16-9)19-2)12-17-13(20-18-12)10-4-3-7-15-8-10/h3-8H,1-2H3
InChIKeyGKETWMURHWJVFR-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.51
Rot. Bonds3

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

3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 913807) 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-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID913807
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C14H12N4O2/c1-9-5-6-11(14(16-9)19-2)12-17-13(20-18-12)10-4-3-7-15-8-10/h3-8H,1-2H3
InChIKeyGKETWMURHWJVFR-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 913807) is 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole is COc1nc(C)ccc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is GKETWMURHWJVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-5-6-11(14(16-9)19-2)12-17-13(20-18-12)10-4-3-7-15-8-10/h3-8H,1-2H3.
What are the key properties of 3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-methoxy-6-methyl-3-pyridinyl)-5-pyridin-3-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-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 913807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).