5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

C20H22F3N5O3 — CID 90100071

IUPAC5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCc1ncc(C2(COc3cccc(C(F)(F)F)n3)CNC(=O)O2)c(C2CCNCC2)n1
InChIInChI=1S/C20H22F3N5O3/c1-12-25-9-14(17(27-12)13-5-7-24-8-6-13)19(10-26-18(29)31-19)11-30-16-4-2-3-15(28-16)20(21,22)23/h2-4,9,13,24H,5-8,10-11H2,1H3,(H,26,29)
InChIKeyDCHIDANGJPUQOM-UHFFFAOYSA-N
MW437.42 g/mol
LogP2.68
Rot. Bonds5

About 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one

5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 90100071) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID90100071
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCc1ncc(C2(COc3cccc(C(F)(F)F)n3)CNC(=O)O2)c(C2CCNCC2)n1
InChIInChI=1S/C20H22F3N5O3/c1-12-25-9-14(17(27-12)13-5-7-24-8-6-13)19(10-26-18(29)31-19)11-30-16-4-2-3-15(28-16)20(21,22)23/h2-4,9,13,24H,5-8,10-11H2,1H3,(H,26,29)
InChIKeyDCHIDANGJPUQOM-UHFFFAOYSA-N
XLogP2.68
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
CID 90100798
4-chloro-2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-ol
CID 90101002
1-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone;hydrochloride
CID 118378306
N-(2,6-difluorophenyl)-N'-methyl-4-[2-methyl-5-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]oxetan-2-yl]pyrimidin-4-yl]piperidine-1-carboximidamide
CID 144611039
tert-butyl 4-[5-[2-hydroxy-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
CID 140688872
2-(pyrrolidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62371769
N-(2,6-difluorophenyl)-4-[5-[1-hydroxy-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
CID 118378183
tert-butyl 4-[2-methyl-5-[5-methyl-2-oxo-3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-oxazolidin-5-yl]pyrimidin-4-yl]piperidine-1-carboxylate
CID 140688846
5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
CID 118759817
N-[2,2-difluoro-2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
CID 118378258
2-(piperidin-3-ylmethoxy)-6-(trifluoromethyl)pyridine
CID 62348885
2-piperidin-4-yl-6-[[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]methoxy]pyridine
CID 178135409

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one (CID 90100071) is 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is Cc1ncc(C2(COc3cccc(C(F)(F)F)n3)CNC(=O)O2)c(C2CCNCC2)n1.
What is the InChIKey of 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is DCHIDANGJPUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-12-25-9-14(17(27-12)13-5-7-24-8-6-13)19(10-26-18(29)31-19)11-30-16-4-2-3-15(28-16)20(21,22)23/h2-4,9,13,24H,5-8,10-11H2,1H3,(H,26,29).
What are the key properties of 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one?
5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 437.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90100071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).