2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

C22H24N4O3 — CID 124956909

IUPAC2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)n1
InChIInChI=1S/C22H24N4O3/c1-16-9-10-20(27)26(24-16)15-21(28)25-11-5-8-18(14-25)22-23-13-19(29-22)12-17-6-3-2-4-7-17/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3/t18-/m1/s1
InChIKeyFUYNJVIYVRDIAI-GOSISDBHSA-N
MW392.46 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 124956909) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID124956909
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)n1
InChIInChI=1S/C22H24N4O3/c1-16-9-10-20(27)26(24-16)15-21(28)25-11-5-8-18(14-25)22-23-13-19(29-22)12-17-6-3-2-4-7-17/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3/t18-/m1/s1
InChIKeyFUYNJVIYVRDIAI-GOSISDBHSA-N
XLogP2.54
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[2-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 110119642
1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 125005458
1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 124959482
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125023481
2-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 124952695
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119939
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
CID 125001091
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125020938
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124952533
2-[2-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 125004789
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 125007547
6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110133724

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (CID 124956909) is 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)n1.
What is the InChIKey of 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is FUYNJVIYVRDIAI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-9-10-20(27)26(24-16)15-21(28)25-11-5-8-18(14-25)22-23-13-19(29-22)12-17-6-3-2-4-7-17/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3/t18-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 392.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 124956909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).