1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C18H19F3N2O2 — CID 56880036

IUPAC1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccon1)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)15-6-2-1-5-14(15)8-7-13-4-3-10-23(12-13)17(24)16-9-11-25-22-16/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2
InChIKeyHBFNCFPDTLHBAT-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.18
Rot. Bonds4

About 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56880036) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56880036
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccon1)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)15-6-2-1-5-14(15)8-7-13-4-3-10-23(12-13)17(24)16-9-11-25-22-16/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2
InChIKeyHBFNCFPDTLHBAT-UHFFFAOYSA-N
XLogP4.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
thiadiazol-4-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 42122916
1,3-thiazol-4-yl-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95532388
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56879117
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95399020
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318
(4-methyl-1H-pyrrol-2-yl)-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95476360
(6-amino-3-pyridinyl)-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95551304

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56880036) is 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is O=C(c1ccon1)N1CCCC(CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is HBFNCFPDTLHBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)15-6-2-1-5-14(15)8-7-13-4-3-10-23(12-13)17(24)16-9-11-25-22-16/h1-2,5-6,9,11,13H,3-4,7-8,10,12H2.
What are the key properties of 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 352.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56880036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).