5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole

C10H13F3N2O — CID 71986501

IUPAC5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)C1CCN(Cc2ccno2)CC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)8-2-5-15(6-3-8)7-9-1-4-14-16-9/h1,4,8H,2-3,5-7H2
InChIKeyQNCRELYHTIIWTF-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.45
Rot. Bonds2

About 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole

5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 71986501) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID71986501
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)C1CCN(Cc2ccno2)CC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)8-2-5-15(6-3-8)7-9-1-4-14-16-9/h1,4,8H,2-3,5-7H2
InChIKeyQNCRELYHTIIWTF-UHFFFAOYSA-N
XLogP2.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole (CID 71986501) is 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole is FC(F)(F)C1CCN(Cc2ccno2)CC1.
What is the InChIKey of 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is QNCRELYHTIIWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)8-2-5-15(6-3-8)7-9-1-4-14-16-9/h1,4,8H,2-3,5-7H2.
What are the key properties of 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole?
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 234.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 71986501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).