(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C20H23F3N2O2 — CID 56874697

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N2O2/c1-13-18(14(2)27-24-13)19(26)25-10-4-6-16(12-25)9-8-15-5-3-7-17(11-15)20(21,22)23/h3,5,7,11,16H,4,6,8-10,12H2,1-2H3
InChIKeyCXDUJHXLHQOMLC-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.80
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56874697) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56874697
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N2O2/c1-13-18(14(2)27-24-13)19(26)25-10-4-6-16(12-25)9-8-15-5-3-7-17(11-15)20(21,22)23/h3,5,7,11,16H,4,6,8-10,12H2,1-2H3
InChIKeyCXDUJHXLHQOMLC-UHFFFAOYSA-N
XLogP4.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95554391
(2,5-dimethyl-1,3-oxazol-4-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95476833
(2-amino-4-methylpyrimidin-5-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95486437
(2-hydroxyphenyl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553574
2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95545428
pyridin-2-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56863219
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95550375
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
5-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95550119
imidazo[1,2-a]pyridin-3-yl-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553406
imidazo[1,2-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553405
pyrazolo[1,5-a]pyridin-3-yl-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95549035

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56874697) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is CXDUJHXLHQOMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-13-18(14(2)27-24-13)19(26)25-10-4-6-16(12-25)9-8-15-5-3-7-17(11-15)20(21,22)23/h3,5,7,11,16H,4,6,8-10,12H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 380.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56874697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).