5-undecyl-1,2,4-oxadiazol-3-amine

C13H25N3O — CID 11817293

IUPAC5-undecyl-1,2,4-oxadiazol-3-amine
SMILESCCCCCCCCCCCc1nc(N)no1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16-17-12/h2-11H2,1H3,(H2,14,16)
InChIKeyXDUFMXDQJRWGRW-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.73
Rot. Bonds10

About 5-undecyl-1,2,4-oxadiazol-3-amine

5-undecyl-1,2,4-oxadiazol-3-amine (PubChem CID 11817293) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-undecyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-undecyl-1,2,4-oxadiazol-3-amine
PubChem CID11817293
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-undecyl-1,2,4-oxadiazol-3-amine
SMILESCCCCCCCCCCCc1nc(N)no1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16-17-12/h2-11H2,1H3,(H2,14,16)
InChIKeyXDUFMXDQJRWGRW-UHFFFAOYSA-N
XLogP3.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-undecyl-1,2,4-oxadiazol-3-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 5-undecyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-undecyl-1,2,4-oxadiazol-3-amine (CID 11817293) is 5-undecyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-undecyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-undecyl-1,2,4-oxadiazol-3-amine is CCCCCCCCCCCc1nc(N)no1.
What is the InChIKey of 5-undecyl-1,2,4-oxadiazol-3-amine?
The InChIKey is XDUFMXDQJRWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16-17-12/h2-11H2,1H3,(H2,14,16).
What are the key properties of 5-undecyl-1,2,4-oxadiazol-3-amine?
5-undecyl-1,2,4-oxadiazol-3-amine has a molecular weight of 239.36 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undecyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 11817293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).