5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine

C12H16N4O — CID 14257833

IUPAC5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESCNCCCc1nc(Nc2ccccc2)no1
InChIInChI=1S/C12H16N4O/c1-13-9-5-8-11-15-12(16-17-11)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3,(H,14,16)
InChIKeyMECAVYQSEOMTGT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.97
Rot. Bonds6

About 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine

5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 14257833) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID14257833
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESCNCCCc1nc(Nc2ccccc2)no1
InChIInChI=1S/C12H16N4O/c1-13-9-5-8-11-15-12(16-17-11)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3,(H,14,16)
InChIKeyMECAVYQSEOMTGT-UHFFFAOYSA-N
XLogP1.97
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-(methylamino)propyl]-N-phenyl-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-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine (CID 14257833) is 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine is CNCCCc1nc(Nc2ccccc2)no1.
What is the InChIKey of 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is MECAVYQSEOMTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-9-5-8-11-15-12(16-17-11)14-10-6-3-2-4-7-10/h2-4,6-7,13H,5,8-9H2,1H3,(H,14,16).
What are the key properties of 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine?
5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 232.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)propyl]-N-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 14257833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).