4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole

C11H16F3N3O — CID 84711062

IUPAC4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1CCN1CCNCC1
InChIInChI=1S/C11H16F3N3O/c1-8-9(18-10(16-8)11(12,13)14)2-5-17-6-3-15-4-7-17/h15H,2-7H2,1H3
InChIKeyJGQCFMOREOKZNK-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.45
Rot. Bonds3

About 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole

4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 84711062) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole
PubChem CID84711062
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)F)oc1CCN1CCNCC1
InChIInChI=1S/C11H16F3N3O/c1-8-9(18-10(16-8)11(12,13)14)2-5-17-6-3-15-4-7-17/h15H,2-7H2,1H3
InChIKeyJGQCFMOREOKZNK-UHFFFAOYSA-N
XLogP1.45
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole 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 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole (CID 84711062) is 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole is Cc1nc(C(F)(F)F)oc1CCN1CCNCC1.
What is the InChIKey of 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is JGQCFMOREOKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8-9(18-10(16-8)11(12,13)14)2-5-17-6-3-15-4-7-17/h15H,2-7H2,1H3.
What are the key properties of 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole?
4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 263.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 84711062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).