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

C13H11N5O2 — CID 91819568

IUPAC5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ncc(-c2nc(-c3cccnc3)no2)c(C)n1
InChIInChI=1S/C13H11N5O2/c1-8-10(7-15-13(16-8)19-2)12-17-11(18-20-12)9-4-3-5-14-6-9/h3-7H,1-2H3
InChIKeyVLEKBNUNWWWBNJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.91
Rot. Bonds3

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

5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 91819568) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID91819568
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1ncc(-c2nc(-c3cccnc3)no2)c(C)n1
InChIInChI=1S/C13H11N5O2/c1-8-10(7-15-13(16-8)19-2)12-17-11(18-20-12)9-4-3-5-14-6-9/h3-7H,1-2H3
InChIKeyVLEKBNUNWWWBNJ-UHFFFAOYSA-N
XLogP1.91
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 91819568) is 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is COc1ncc(-c2nc(-c3cccnc3)no2)c(C)n1.
What is the InChIKey of 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is VLEKBNUNWWWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-10(7-15-13(16-8)19-2)12-17-11(18-20-12)9-4-3-5-14-6-9/h3-7H,1-2H3.
What are the key properties of 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 269.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-methylpyrimidin-5-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91819568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).