1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone

C21H24N4O2 — CID 136766095

IUPAC1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCCC2c2[nH]ncc2-c2cc(C)no2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-6-8-16(9-7-14)12-20(26)25-10-4-3-5-18(25)21-17(13-22-23-21)19-11-15(2)24-27-19/h6-9,11,13,18H,3-5,10,12H2,1-2H3,(H,22,23)
InChIKeyHKSVEGPOLNFKMK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.98
Rot. Bonds4

About 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone

1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 136766095) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID136766095
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCCC2c2[nH]ncc2-c2cc(C)no2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-6-8-16(9-7-14)12-20(26)25-10-4-3-5-18(25)21-17(13-22-23-21)19-11-15(2)24-27-19/h6-9,11,13,18H,3-5,10,12H2,1-2H3,(H,22,23)
InChIKeyHKSVEGPOLNFKMK-UHFFFAOYSA-N
XLogP3.98
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-[(2R)-2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 136860499
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136860857
2-(4-methylphenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557663
2-(4-methylphenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 92557662
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218523
2-(4-fluorophenyl)-1-[3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 135719726
1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 136766052
3-methyl-5-[5-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763208
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 136763173
2-(3,4-dichlorophenyl)-1-[(2S)-2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554412
3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763355
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 136691315

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone (CID 136766095) is 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCCCC2c2[nH]ncc2-c2cc(C)no2)cc1.
What is the InChIKey of 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is HKSVEGPOLNFKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-6-8-16(9-7-14)12-20(26)25-10-4-3-5-18(25)21-17(13-22-23-21)19-11-15(2)24-27-19/h6-9,11,13,18H,3-5,10,12H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone?
1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 136766095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).