1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol

C11H13N3O2 — CID 102660685

IUPAC1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccc(-c2nc(C(C)O)no2)c(C)n1
InChIInChI=1S/C11H13N3O2/c1-6-4-5-9(7(2)12-6)11-13-10(8(3)15)14-16-11/h4-5,8,15H,1-3H3
InChIKeyGMEJZIYURHCZJR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.80
Rot. Bonds2

About 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol

1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660685) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660685
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccc(-c2nc(C(C)O)no2)c(C)n1
InChIInChI=1S/C11H13N3O2/c1-6-4-5-9(7(2)12-6)11-13-10(8(3)15)14-16-11/h4-5,8,15H,1-3H3
InChIKeyGMEJZIYURHCZJR-UHFFFAOYSA-N
XLogP1.80
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660685) is 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol is Cc1ccc(-c2nc(C(C)O)no2)c(C)n1.
What is the InChIKey of 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is GMEJZIYURHCZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-4-5-9(7(2)12-6)11-13-10(8(3)15)14-16-11/h4-5,8,15H,1-3H3.
What are the key properties of 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 219.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).