5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole

C17H20F3N3O — CID 142648001

IUPAC5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole
SMILESFC(F)(F)c1ccccc1CN1CCN(CCc2ccno2)CC1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)16-4-2-1-3-14(16)13-23-11-9-22(10-12-23)8-6-15-5-7-21-24-15/h1-5,7H,6,8-13H2
InChIKeyJXNSLAYHJGQCMS-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.05
Rot. Bonds5

About 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole

5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole (PubChem CID 142648001) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole
PubChem CID142648001
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole
SMILESFC(F)(F)c1ccccc1CN1CCN(CCc2ccno2)CC1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)16-4-2-1-3-14(16)13-23-11-9-22(10-12-23)8-6-15-5-7-21-24-15/h1-5,7H,6,8-13H2
InChIKeyJXNSLAYHJGQCMS-UHFFFAOYSA-N
XLogP3.05
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole?
The IUPAC name of 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole (CID 142648001) is 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole.
What is the SMILES notation for 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole?
The canonical SMILES for 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole is FC(F)(F)c1ccccc1CN1CCN(CCc2ccno2)CC1.
What is the InChIKey of 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole?
The InChIKey is JXNSLAYHJGQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c18-17(19,20)16-4-2-1-3-14(16)13-23-11-9-22(10-12-23)8-6-15-5-7-21-24-15/h1-5,7H,6,8-13H2.
What are the key properties of 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole?
5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole has a molecular weight of 339.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2-oxazole is sourced from PubChem (CID 142648001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).