(4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C13H14F3N5O2 — CID 128963906

IUPAC(4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nonc1C(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C13H14F3N5O2/c1-7-10(20-23-19-7)12(22)21-4-2-3-8(6-21)11-17-5-9(18-11)13(14,15)16/h5,8H,2-4,6H2,1H3,(H,17,18)
InChIKeyAKMPALPJYMDSGT-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.14
Rot. Bonds2

About (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

(4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 128963906) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID128963906
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC Name(4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nonc1C(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C13H14F3N5O2/c1-7-10(20-23-19-7)12(22)21-4-2-3-8(6-21)11-17-5-9(18-11)13(14,15)16/h5,8H,2-4,6H2,1H3,(H,17,18)
InChIKeyAKMPALPJYMDSGT-UHFFFAOYSA-N
XLogP2.14
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-2-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479723
1,2-oxazol-3-yl-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996053
1,2-oxazol-3-yl-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479672
1,2-oxazol-3-yl-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479671
(3-cyclopropyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128989695
(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479438
(2-fluoro-4-methylphenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128995235
1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]but-2-yn-1-one
CID 125142252
2-methyl-3-oxo-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propanoic acid
CID 122066237
(3-fluoro-4-pyridinyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479643
(2,3-difluorophenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128996049
(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479436

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 128963906) is (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is Cc1nonc1C(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is AKMPALPJYMDSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-7-10(20-23-19-7)12(22)21-4-2-3-8(6-21)11-17-5-9(18-11)13(14,15)16/h5,8H,2-4,6H2,1H3,(H,17,18).
What are the key properties of (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 329.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128963906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).