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

C4H7N3O — CID 28924762

IUPAC2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESNCCc1ncno1
InChIInChI=1S/C4H7N3O/c5-2-1-4-6-3-7-8-4/h3H,1-2,5H2
InChIKeyHKIXGXYGOILGSX-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.43
Rot. Bonds2

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

2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 28924762) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID28924762
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESNCCc1ncno1
InChIInChI=1S/C4H7N3O/c5-2-1-4-6-3-7-8-4/h3H,1-2,5H2
InChIKeyHKIXGXYGOILGSX-UHFFFAOYSA-N
XLogP-0.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,4-oxadiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 28924762) is 2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)ethanamine is NCCc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is HKIXGXYGOILGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-2-1-4-6-3-7-8-4/h3H,1-2,5H2.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)ethanamine?
2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 113.12 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 28924762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).