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

C11H13N3O2 — CID 91662480

IUPAC5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOC(C)(C)c1nc(-c2ccncc2)no1
InChIInChI=1S/C11H13N3O2/c1-11(2,15-3)10-13-9(14-16-10)8-4-6-12-7-5-8/h4-7H,1-3H3
InChIKeySPLYQSSRJCZIEI-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.01
Rot. Bonds3

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

5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 91662480) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID91662480
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCOC(C)(C)c1nc(-c2ccncc2)no1
InChIInChI=1S/C11H13N3O2/c1-11(2,15-3)10-13-9(14-16-10)8-4-6-12-7-5-8/h4-7H,1-3H3
InChIKeySPLYQSSRJCZIEI-UHFFFAOYSA-N
XLogP2.01
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 91662480) is 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is COC(C)(C)c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is SPLYQSSRJCZIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,15-3)10-13-9(14-16-10)8-4-6-12-7-5-8/h4-7H,1-3H3.
What are the key properties of 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 219.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropan-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91662480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).