(3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C15H15F3N4O3 — CID 167773921

IUPAC(3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1ccc(O)c(C(=O)N2CCC(c3noc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C15H15F3N4O3/c1-8-2-3-10(23)11(19-8)13(24)22-6-4-9(5-7-22)12-20-14(25-21-12)15(16,17)18/h2-3,9,23H,4-7H2,1H3
InChIKeyCWLRVBGYSMXYDT-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.52
Rot. Bonds2

About (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 167773921) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID167773921
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name(3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1ccc(O)c(C(=O)N2CCC(c3noc(C(F)(F)F)n3)CC2)n1
InChIInChI=1S/C15H15F3N4O3/c1-8-2-3-10(23)11(19-8)13(24)22-6-4-9(5-7-22)12-20-14(25-21-12)15(16,17)18/h2-3,9,23H,4-7H2,1H3
InChIKeyCWLRVBGYSMXYDT-UHFFFAOYSA-N
XLogP2.52
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methyl-3-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129418311
(2-methylpyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129416553
furan-3-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417650
(1-methylpyrrol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417627
(5-methyl-1H-pyrazol-3-yl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 119102453
2,1,3-benzothiadiazol-5-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019691
[(2R)-oxolan-2-yl]-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417973
oxan-4-yl-[(3S)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129416204
(Z)-3-phenyl-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 129447731
2-ethoxy-1-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 121019682
[3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417243
2-phenoxy-1-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 129417967

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 167773921) is (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is Cc1ccc(O)c(C(=O)N2CCC(c3noc(C(F)(F)F)n3)CC2)n1.
What is the InChIKey of (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is CWLRVBGYSMXYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-8-2-3-10(23)11(19-8)13(24)22-6-4-9(5-7-22)12-20-14(25-21-12)15(16,17)18/h2-3,9,23H,4-7H2,1H3.
What are the key properties of (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 356.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-6-methyl-2-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 167773921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).