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

C18H16F3N3O2S — CID 46880805

IUPAC2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3ncco3)s2)CC1
InChIInChI=1S/C18H16F3N3O2S/c19-18(20,21)13-3-1-2-4-14(13)26-12-5-8-24(9-6-12)17-23-11-15(27-17)16-22-7-10-25-16/h1-4,7,10-12H,5-6,8-9H2
InChIKeyAKNZNOUVMDGJGW-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.86
Rot. Bonds4

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

2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole (PubChem CID 46880805) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole
PubChem CID46880805
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3ncco3)s2)CC1
InChIInChI=1S/C18H16F3N3O2S/c19-18(20,21)13-3-1-2-4-14(13)26-12-5-8-24(9-6-12)17-23-11-15(27-17)16-22-7-10-25-16/h1-4,7,10-12H,5-6,8-9H2
InChIKeyAKNZNOUVMDGJGW-UHFFFAOYSA-N
XLogP4.86
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-oxazole?
The IUPAC name of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole (CID 46880805) is 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole is FC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3ncco3)s2)CC1.
What is the InChIKey of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole?
The InChIKey is AKNZNOUVMDGJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c19-18(20,21)13-3-1-2-4-14(13)26-12-5-8-24(9-6-12)17-23-11-15(27-17)16-22-7-10-25-16/h1-4,7,10-12H,5-6,8-9H2.
What are the key properties of 2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole?
2-[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazol-5-yl]-1,3-oxazole has a molecular weight of 395.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-oxazole is sourced from PubChem (CID 46880805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).