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

C15H16F3N3O2 — CID 167820245

IUPAC5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(OC2CCN(Cc3ccno3)CC2)nc1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)11-1-2-14(19-9-11)22-12-4-7-21(8-5-12)10-13-3-6-20-23-13/h1-3,6,9,12H,4-5,7-8,10H2
InChIKeyCJHAZLWSLFOTFK-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.13
Rot. Bonds4

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

5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 167820245) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID167820245
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1ccc(OC2CCN(Cc3ccno3)CC2)nc1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)11-1-2-14(19-9-11)22-12-4-7-21(8-5-12)10-13-3-6-20-23-13/h1-3,6,9,12H,4-5,7-8,10H2
InChIKeyCJHAZLWSLFOTFK-UHFFFAOYSA-N
XLogP3.13
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxo-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]borane
CID 20701189
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
4-[(5-methylfuran-2-yl)methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepane
CID 162798874
1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
CID 75411567
3-(trifluoromethyl)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyridine
CID 133446213
5-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 75484484
2-[1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446292
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 97104983
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
CID 71798697
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-5-(trifluoromethyl)pyridine
CID 122247778
[2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
CID 166070002
pyridin-3-yl-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 97158981

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole (CID 167820245) is 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole is FC(F)(F)c1ccc(OC2CCN(Cc3ccno3)CC2)nc1.
What is the InChIKey of 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CJHAZLWSLFOTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)11-1-2-14(19-9-11)22-12-4-7-21(8-5-12)10-13-3-6-20-23-13/h1-3,6,9,12H,4-5,7-8,10H2.
What are the key properties of 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole?
5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 327.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 167820245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).