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

C17H23N5O2 — CID 56778583

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
SMILESCc1ccc(NC2CCN(C(=O)Cc3c(C)noc3C)CC2)nn1
InChIInChI=1S/C17H23N5O2/c1-11-4-5-16(20-19-11)18-14-6-8-22(9-7-14)17(23)10-15-12(2)21-24-13(15)3/h4-5,14H,6-10H2,1-3H3,(H,18,20)
InChIKeyYTUINBXZDVOPPQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.04
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone (PubChem CID 56778583) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
PubChem CID56778583
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
SMILESCc1ccc(NC2CCN(C(=O)Cc3c(C)noc3C)CC2)nn1
InChIInChI=1S/C17H23N5O2/c1-11-4-5-16(20-19-11)18-14-6-8-22(9-7-14)17(23)10-15-12(2)21-24-13(15)3/h4-5,14H,6-10H2,1-3H3,(H,18,20)
InChIKeyYTUINBXZDVOPPQ-UHFFFAOYSA-N
XLogP2.04
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-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-[(3R)-3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]ethanone
CID 95772893
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]ethanone
CID 154576140
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
1-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 129344512
N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56802128
N-[(4R)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634943
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347919
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone (CID 56778583) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone is Cc1ccc(NC2CCN(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)amino]piperidin-1-yl]ethanone?
The InChIKey is YTUINBXZDVOPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-4-5-16(20-19-11)18-14-6-8-22(9-7-14)17(23)10-15-12(2)21-24-13(15)3/h4-5,14H,6-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 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)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 56778583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).