2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

C18H20F3N3O3 — CID 71798772

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F3N3O3/c1-11-15(12(2)27-23-11)9-17(25)24-7-5-14(6-8-24)26-16-4-3-13(10-22-16)18(19,20)21/h3-4,10,14H,5-9H2,1-2H3
InChIKeyFOYKOEVYSUGQES-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.32
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (PubChem CID 71798772) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
PubChem CID71798772
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F3N3O3/c1-11-15(12(2)27-23-11)9-17(25)24-7-5-14(6-8-24)26-16-4-3-13(10-22-16)18(19,20)21/h3-4,10,14H,5-9H2,1-2H3
InChIKeyFOYKOEVYSUGQES-UHFFFAOYSA-N
XLogP3.32
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

6-[[3-(5-fluoropiperidin-2-yl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 90683546
dafadine C
CID 16189154
5-[(2,4-difluorophenoxy)methyl]-N-[1-methyl-2-(3-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24790118
5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24791354
dafadine D
CID 24792125
5-[(3-{[4-(3-Methoxypropyl)-1-piperidinyl]carbonyl}-5-isoxazolyl)methoxy]-2-methylpyridine
CID 24793180
3-({[1-({5-[(2-Methoxyphenoxy)methyl]-3-isoxazolyl}carbonyl)-3-piperidinyl]oxy}methyl)pyridine
CID 24793324
N-methyl-N-(2-pyrazinylmethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-isoxazolecarboxamide
CID 24793439
3-({1-[(5-{[3-(Trifluoromethyl)phenoxy]methyl}-3-isoxazolyl)carbonyl]-4-piperidinyl}oxy)pyridine
CID 24817717
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-isoxazolecarboxamide
CID 24818907
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24819449
2-Methyl-5-({3-[(3-methyl-1-piperidinyl)carbonyl]-5-isoxazolyl}methoxy)pyridine
CID 45185350

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (CID 71798772) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The InChIKey is FOYKOEVYSUGQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-11-15(12(2)27-23-11)9-17(25)24-7-5-14(6-8-24)26-16-4-3-13(10-22-16)18(19,20)21/h3-4,10,14H,5-9H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone has a molecular weight of 383.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71798772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).