2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

C17H22N4O3 — CID 90559656

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)Cc3c(C)noc3C)CC2)nn1
InChIInChI=1S/C17H22N4O3/c1-11-4-5-16(19-18-11)23-14-6-8-21(9-7-14)17(22)10-15-12(2)20-24-13(15)3/h4-5,14H,6-10H2,1-3H3
InChIKeyJMALKRFAMPIBDJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.00
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (PubChem CID 90559656) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
PubChem CID90559656
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)Cc3c(C)noc3C)CC2)nn1
InChIInChI=1S/C17H22N4O3/c1-11-4-5-16(19-18-11)23-14-6-8-21(9-7-14)17(22)10-15-12(2)20-24-13(15)3/h4-5,14H,6-10H2,1-3H3
InChIKeyJMALKRFAMPIBDJ-UHFFFAOYSA-N
XLogP2.00
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]ethanone
CID 154576140
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
CID 56778583
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566099
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]ethanone
CID 56819074
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129356021
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 91627457
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 90559617
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156321
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
CID 126855988
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (CID 90559656) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is Cc1ccc(OC2CCN(C(=O)Cc3c(C)noc3C)CC2)nn1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is JMALKRFAMPIBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-4-5-16(19-18-11)23-14-6-8-21(9-7-14)17(22)10-15-12(2)20-24-13(15)3/h4-5,14H,6-10H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 330.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 90559656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).