2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole

C17H15F3N4O2S — CID 46880806

IUPAC2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3nnco3)s2)CC1
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-23-22-10-25-15/h1-4,9-11H,5-8H2
InChIKeyDMXFJXOYVJXHHZ-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.26
Rot. Bonds4

About 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole

2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole (PubChem CID 46880806) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole
PubChem CID46880806
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3nnco3)s2)CC1
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-23-22-10-25-15/h1-4,9-11H,5-8H2
InChIKeyDMXFJXOYVJXHHZ-UHFFFAOYSA-N
XLogP4.26
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole (CID 46880806) is 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole is FC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3nnco3)s2)CC1.
What is the InChIKey of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole?
The InChIKey is DMXFJXOYVJXHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-3-1-2-4-13(12)26-11-5-7-24(8-6-11)16-21-9-14(27-16)15-23-22-10-25-15/h1-4,9-11H,5-8H2.
What are the key properties of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole?
2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole has a molecular weight of 396.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 46880806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).