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

C11H15F3N2O — CID 82665108

IUPAC5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ncc(CCC2CCNCC2)o1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-16-7-9(17-10)2-1-8-3-5-15-6-4-8/h7-8,15H,1-6H2
InChIKeyWODGTFXRZJZVOA-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.63
Rot. Bonds3

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

5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 82665108) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole
PubChem CID82665108
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ncc(CCC2CCNCC2)o1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10-16-7-9(17-10)2-1-8-3-5-15-6-4-8/h7-8,15H,1-6H2
InChIKeyWODGTFXRZJZVOA-UHFFFAOYSA-N
XLogP2.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole (CID 82665108) is 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1ncc(CCC2CCNCC2)o1.
What is the InChIKey of 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is WODGTFXRZJZVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)10-16-7-9(17-10)2-1-8-3-5-15-6-4-8/h7-8,15H,1-6H2.
What are the key properties of 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole?
5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 248.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-ylethyl)-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 82665108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).