2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone

C20H22N4O3 — CID 90560033

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H22N4O3/c1-13-16(14(2)27-23-13)11-20(25)24-9-7-15(8-10-24)26-19-12-21-17-5-3-4-6-18(17)22-19/h3-6,12,15H,7-11H2,1-2H3
InChIKeyQHRCBDHPMANBIA-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.85
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 90560033) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
PubChem CID90560033
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H22N4O3/c1-13-16(14(2)27-23-13)11-20(25)24-9-7-15(8-10-24)26-19-12-21-17-5-3-4-6-18(17)22-19/h3-6,12,15H,7-11H2,1-2H3
InChIKeyQHRCBDHPMANBIA-UHFFFAOYSA-N
XLogP2.85
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 90559656
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566099
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
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
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928
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-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 42437655
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156321
(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559987
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone (CID 90560033) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is QHRCBDHPMANBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-16(14(2)27-23-13)11-20(25)24-9-7-15(8-10-24)26-19-12-21-17-5-3-4-6-18(17)22-19/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 366.42 g/mol, XLogP of 2.85, 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-quinoxalin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 90560033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).