2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone

C20H24N6O3 — CID 163339527

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(OCc3nc(-c4ccncc4)no3)C2)n1
InChIInChI=1S/C20H24N6O3/c1-14-10-15(2)26(23-14)12-19(27)25-9-3-4-17(11-25)28-13-18-22-20(24-29-18)16-5-7-21-8-6-16/h5-8,10,17H,3-4,9,11-13H2,1-2H3
InChIKeyOQRNLNBMDZAKHO-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.15
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone (PubChem CID 163339527) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
PubChem CID163339527
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(OCc3nc(-c4ccncc4)no3)C2)n1
InChIInChI=1S/C20H24N6O3/c1-14-10-15(2)26(23-14)12-19(27)25-9-3-4-17(11-25)28-13-18-22-20(24-29-18)16-5-7-21-8-6-16/h5-8,10,17H,3-4,9,11-13H2,1-2H3
InChIKeyOQRNLNBMDZAKHO-UHFFFAOYSA-N
XLogP2.15
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95340408
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 16670929
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 91653914
3-pyridin-4-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687044
2-(5-amino-3-methylpyrazol-1-yl)-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 99931641
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 70763009
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
1-[3-(hydroxymethyl)piperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110886801

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone (CID 163339527) is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCCC(OCc3nc(-c4ccncc4)no3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The InChIKey is OQRNLNBMDZAKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-14-10-15(2)26(23-14)12-19(27)25-9-3-4-17(11-25)28-13-18-22-20(24-29-18)16-5-7-21-8-6-16/h5-8,10,17H,3-4,9,11-13H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone has a molecular weight of 396.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 163339527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).