5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole

C11H12N4O2 — CID 120841006

IUPAC5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc([C@H]3CCN3)n2)cn1
InChIInChI=1S/C11H12N4O2/c1-16-9-3-2-7(6-13-9)10-14-11(17-15-10)8-4-5-12-8/h2-3,6,8,12H,4-5H2,1H3/t8-/m1/s1
InChIKeyOCONAWFTDUJSAU-MRVPVSSYSA-N
MW232.24 g/mol
LogP1.17
Rot. Bonds3

About 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole

5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 120841006) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID120841006
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc([C@H]3CCN3)n2)cn1
InChIInChI=1S/C11H12N4O2/c1-16-9-3-2-7(6-13-9)10-14-11(17-15-10)8-4-5-12-8/h2-3,6,8,12H,4-5H2,1H3/t8-/m1/s1
InChIKeyOCONAWFTDUJSAU-MRVPVSSYSA-N
XLogP1.17
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-methoxy-3-pyridinyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120840977
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 75131265
3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163156955
5-(5-azaspiro[2.4]heptan-2-yl)-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 120840978
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
3-(6-methoxy-3-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 119948377
3-(6-methoxy-3-pyridinyl)-5-[(2R,3R)-2-phenyloxan-3-yl]-1,2,4-oxadiazole
CID 129402676
5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120840761
5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
CID 120840760
3-(6-methoxy-3-pyridinyl)-5-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1,2,4-oxadiazole
CID 99838236
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole (CID 120841006) is 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole is COc1ccc(-c2noc([C@H]3CCN3)n2)cn1.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is OCONAWFTDUJSAU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-16-9-3-2-7(6-13-9)10-14-11(17-15-10)8-4-5-12-8/h2-3,6,8,12H,4-5H2,1H3/t8-/m1/s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 232.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120841006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).