4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole

C9H11F3N2O — CID 84685359

IUPAC4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1nc(C2CCNCC2)co1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-14-7(5-15-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2
InChIKeyUZXKEPYTNOTPQA-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.16
Rot. Bonds1

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

4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 84685359) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID84685359
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1nc(C2CCNCC2)co1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-14-7(5-15-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2
InChIKeyUZXKEPYTNOTPQA-UHFFFAOYSA-N
XLogP2.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole (CID 84685359) is 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1nc(C2CCNCC2)co1.
What is the InChIKey of 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is UZXKEPYTNOTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8-14-7(5-15-8)6-1-3-13-4-2-6/h5-6,13H,1-4H2.
What are the key properties of 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole?
4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 220.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 84685359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).