2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

C6H11N3O2 — CID 102547892

IUPAC2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCOCC(N)c1noc(C)n1
InChIInChI=1S/C6H11N3O2/c1-4-8-6(9-11-4)5(7)3-10-2/h5H,3,7H2,1-2H3
InChIKeyWDYFRIHJGNJFLA-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.02
Rot. Bonds3

About 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 102547892) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID102547892
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCOCC(N)c1noc(C)n1
InChIInChI=1S/C6H11N3O2/c1-4-8-6(9-11-4)5(7)3-10-2/h5H,3,7H2,1-2H3
InChIKeyWDYFRIHJGNJFLA-UHFFFAOYSA-N
XLogP0.02
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 102547892) is 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is COCC(N)c1noc(C)n1.
What is the InChIKey of 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is WDYFRIHJGNJFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4-8-6(9-11-4)5(7)3-10-2/h5H,3,7H2,1-2H3.
What are the key properties of 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 157.17 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 102547892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).