(3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C20H23F3N2O2 — CID 56879117

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)on1
InChIInChI=1S/C20H23F3N2O2/c1-2-16-12-18(27-24-16)19(26)25-11-5-6-14(13-25)9-10-15-7-3-4-8-17(15)20(21,22)23/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3
InChIKeyYBRZDLNYVISQPS-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.74
Rot. Bonds5

About (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

(3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56879117) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56879117
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)on1
InChIInChI=1S/C20H23F3N2O2/c1-2-16-12-18(27-24-16)19(26)25-11-5-6-14(13-25)9-10-15-7-3-4-8-17(15)20(21,22)23/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3
InChIKeyYBRZDLNYVISQPS-UHFFFAOYSA-N
XLogP4.74
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-oxazol-3-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56880036
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
(4-methyl-1H-pyrrol-2-yl)-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95476360
(3S)-N-ethyl-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 95714573
2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
(1-ethylpyrazol-4-yl)-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95556642
(3-methylimidazol-4-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56867190
1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95399020
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

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56879117) is (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCCC(CCc3ccccc3C(F)(F)F)C2)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is YBRZDLNYVISQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-2-16-12-18(27-24-16)19(26)25-11-5-6-14(13-25)9-10-15-7-3-4-8-17(15)20(21,22)23/h3-4,7-8,12,14H,2,5-6,9-11,13H2,1H3.
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 380.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56879117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).