3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole

C12H17F3N2O — CID 66759631

IUPAC3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole
SMILESFC(F)(F)CCCN1CCC(c2ccon2)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)5-1-6-17-7-2-10(3-8-17)11-4-9-18-16-11/h4,9-10H,1-3,5-8H2
InChIKeyDXXYXMHWVOZPGA-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.20
Rot. Bonds4

About 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole

3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole (PubChem CID 66759631) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole
PubChem CID66759631
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole
SMILESFC(F)(F)CCCN1CCC(c2ccon2)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)5-1-6-17-7-2-10(3-8-17)11-4-9-18-16-11/h4,9-10H,1-3,5-8H2
InChIKeyDXXYXMHWVOZPGA-UHFFFAOYSA-N
XLogP3.20
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole?
The IUPAC name of 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole (CID 66759631) is 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole is FC(F)(F)CCCN1CCC(c2ccon2)CC1.
What is the InChIKey of 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole?
The InChIKey is DXXYXMHWVOZPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)5-1-6-17-7-2-10(3-8-17)11-4-9-18-16-11/h4,9-10H,1-3,5-8H2.
What are the key properties of 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole?
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole has a molecular weight of 262.27 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 66759631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).