2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline

C15H21N5O — CID 79663687

IUPAC2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
SMILESCc1cccc(N)c1-c1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C15H21N5O/c1-10-5-4-6-11(16)13(10)15-17-14(18-21-15)12-9-19(2)7-8-20(12)3/h4-6,12H,7-9,16H2,1-3H3
InChIKeyLECSAPVNNQZBRM-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.55
Rot. Bonds2

About 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline

2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline (PubChem CID 79663687) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline.

Molecular Properties

Compound Name2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
PubChem CID79663687
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
SMILESCc1cccc(N)c1-c1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C15H21N5O/c1-10-5-4-6-11(16)13(10)15-17-14(18-21-15)12-9-19(2)7-8-20(12)3/h4-6,12H,7-9,16H2,1-3H3
InChIKeyLECSAPVNNQZBRM-UHFFFAOYSA-N
XLogP1.55
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline 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-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline?
The IUPAC name of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline (CID 79663687) is 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline.
What is the SMILES notation for 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline?
The canonical SMILES for 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline is Cc1cccc(N)c1-c1nc(C2CN(C)CCN2C)no1.
What is the InChIKey of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline?
The InChIKey is LECSAPVNNQZBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-5-4-6-11(16)13(10)15-17-14(18-21-15)12-9-19(2)7-8-20(12)3/h4-6,12H,7-9,16H2,1-3H3.
What are the key properties of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline?
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline has a molecular weight of 287.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline is sourced from PubChem (CID 79663687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).