1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine

C13H17N5O2 — CID 155272225

IUPAC1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC1CN(c2cc(-c3noc(C(C)N)n3)ccn2)C1
InChIInChI=1S/C13H17N5O2/c1-8(14)13-16-12(17-20-13)9-3-4-15-11(5-9)18-6-10(7-18)19-2/h3-5,8,10H,6-7,14H2,1-2H3
InChIKeyUXISLYWICLEFRT-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.99
Rot. Bonds4

About 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine

1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 155272225) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID155272225
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC1CN(c2cc(-c3noc(C(C)N)n3)ccn2)C1
InChIInChI=1S/C13H17N5O2/c1-8(14)13-16-12(17-20-13)9-3-4-15-11(5-9)18-6-10(7-18)19-2/h3-5,8,10H,6-7,14H2,1-2H3
InChIKeyUXISLYWICLEFRT-UHFFFAOYSA-N
XLogP0.99
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 155272225) is 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine is COC1CN(c2cc(-c3noc(C(C)N)n3)ccn2)C1.
What is the InChIKey of 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is UXISLYWICLEFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(14)13-16-12(17-20-13)9-3-4-15-11(5-9)18-6-10(7-18)19-2/h3-5,8,10H,6-7,14H2,1-2H3.
What are the key properties of 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 275.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 155272225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).