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

C5H9N3O2 — CID 106109186

IUPAC2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCOC(CN)c1ncno1
InChIInChI=1S/C5H9N3O2/c1-9-4(2-6)5-7-3-8-10-5/h3-4H,2,6H2,1H3
InChIKeyNQKKDQORGCFVOK-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.28
Rot. Bonds3

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

2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106109186) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106109186
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCOC(CN)c1ncno1
InChIInChI=1S/C5H9N3O2/c1-9-4(2-6)5-7-3-8-10-5/h3-4H,2,6H2,1H3
InChIKeyNQKKDQORGCFVOK-UHFFFAOYSA-N
XLogP-0.28
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 106109186) is 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine is COC(CN)c1ncno1.
What is the InChIKey of 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is NQKKDQORGCFVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-9-4(2-6)5-7-3-8-10-5/h3-4H,2,6H2,1H3.
What are the key properties of 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine?
2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 143.15 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106109186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).