2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine

C5H9N3O2 — CID 102993732

IUPAC2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine
SMILESNCCOCc1ncno1
InChIInChI=1S/C5H9N3O2/c6-1-2-9-3-5-7-4-8-10-5/h4H,1-3,6H2
InChIKeyXFTYRKMTTRTJIJ-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.46
Rot. Bonds4

About 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine

2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine (PubChem CID 102993732) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine
PubChem CID102993732
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine
SMILESNCCOCc1ncno1
InChIInChI=1S/C5H9N3O2/c6-1-2-9-3-5-7-4-8-10-5/h4H,1-3,6H2
InChIKeyXFTYRKMTTRTJIJ-UHFFFAOYSA-N
XLogP-0.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine (CID 102993732) is 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine is NCCOCc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine?
The InChIKey is XFTYRKMTTRTJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-1-2-9-3-5-7-4-8-10-5/h4H,1-3,6H2.
What are the key properties of 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine?
2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine has a molecular weight of 143.15 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine is sourced from PubChem (CID 102993732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).