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

C15H21N5O — CID 79663439

IUPAC2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C15H21N5O/c1-16-12-7-5-4-6-11(12)15-17-14(18-21-15)13-10-19(2)8-9-20(13)3/h4-7,13,16H,8-10H2,1-3H3
InChIKeyRTPBSMLDOQYLOD-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.70
Rot. Bonds3

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

2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (PubChem CID 79663439) 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]-N-methylaniline.

Molecular Properties

Compound Name2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
PubChem CID79663439
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
SMILESCNc1ccccc1-c1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C15H21N5O/c1-16-12-7-5-4-6-11(12)15-17-14(18-21-15)13-10-19(2)8-9-20(13)3/h4-7,13,16H,8-10H2,1-3H3
InChIKeyRTPBSMLDOQYLOD-UHFFFAOYSA-N
XLogP1.70
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The IUPAC name of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline (CID 79663439) is 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline.
What is the SMILES notation for 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The canonical SMILES for 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline is CNc1ccccc1-c1nc(C2CN(C)CCN2C)no1.
What is the InChIKey of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
The InChIKey is RTPBSMLDOQYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-16-12-7-5-4-6-11(12)15-17-14(18-21-15)13-10-19(2)8-9-20(13)3/h4-7,13,16H,8-10H2,1-3H3.
What are the key properties of 2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline?
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylaniline has a molecular weight of 287.37 g/mol, XLogP of 1.70, 3 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]-N-methylaniline is sourced from PubChem (CID 79663439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).