3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine

C6H11N3O2 — CID 62343638

IUPAC3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine
SMILESNCCCOCc1ncon1
InChIInChI=1S/C6H11N3O2/c7-2-1-3-10-4-6-8-5-11-9-6/h5H,1-4,7H2
InChIKeyCAYMASOYMDIDPX-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.06
Rot. Bonds5

About 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine

3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine (PubChem CID 62343638) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine
PubChem CID62343638
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine
SMILESNCCCOCc1ncon1
InChIInChI=1S/C6H11N3O2/c7-2-1-3-10-4-6-8-5-11-9-6/h5H,1-4,7H2
InChIKeyCAYMASOYMDIDPX-UHFFFAOYSA-N
XLogP-0.06
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine 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 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine?
The IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine (CID 62343638) is 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine is NCCCOCc1ncon1.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine?
The InChIKey is CAYMASOYMDIDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-2-1-3-10-4-6-8-5-11-9-6/h5H,1-4,7H2.
What are the key properties of 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine?
3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine has a molecular weight of 157.17 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine is sourced from PubChem (CID 62343638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).