N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine

C7H13N3O2 — CID 62337222

IUPACN-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine
SMILESCCNCCOCc1ncon1
InChIInChI=1S/C7H13N3O2/c1-2-8-3-4-11-5-7-9-6-12-10-7/h6,8H,2-5H2,1H3
InChIKeyJOJFSGLPXMRCBZ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.20
Rot. Bonds6

About N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine

N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine (PubChem CID 62337222) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine
PubChem CID62337222
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine
SMILESCCNCCOCc1ncon1
InChIInChI=1S/C7H13N3O2/c1-2-8-3-4-11-5-7-9-6-12-10-7/h6,8H,2-5H2,1H3
InChIKeyJOJFSGLPXMRCBZ-UHFFFAOYSA-N
XLogP0.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)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 N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine?
The IUPAC name of N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine (CID 62337222) is N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine is CCNCCOCc1ncon1.
What is the InChIKey of N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine?
The InChIKey is JOJFSGLPXMRCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-2-8-3-4-11-5-7-9-6-12-10-7/h6,8H,2-5H2,1H3.
What are the key properties of N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine?
N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine has a molecular weight of 171.20 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2,4-oxadiazol-3-ylmethoxy)ethanamine is sourced from PubChem (CID 62337222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).