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

C13H10N4O2 — CID 95907164

IUPAC3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cccnc3)n2)ccn1
InChIInChI=1S/C13H10N4O2/c1-18-11-7-9(4-6-15-11)12-16-13(19-17-12)10-3-2-5-14-8-10/h2-8H,1H3
InChIKeyOCYJISHEAKFQIP-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.20
Rot. Bonds3

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

3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 95907164) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID95907164
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cccnc3)n2)ccn1
InChIInChI=1S/C13H10N4O2/c1-18-11-7-9(4-6-15-11)12-16-13(19-17-12)10-3-2-5-14-8-10/h2-8H,1H3
InChIKeyOCYJISHEAKFQIP-UHFFFAOYSA-N
XLogP2.20
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 95907164) is 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole is COc1cc(-c2noc(-c3cccnc3)n2)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is OCYJISHEAKFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-18-11-7-9(4-6-15-11)12-16-13(19-17-12)10-3-2-5-14-8-10/h2-8H,1H3.
What are the key properties of 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 254.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95907164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).