[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone

C21H28N2O3 — CID 59170256

IUPAC[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCCC(O)(CC)C1CCCN(C(=O)c2conc2-c2ccc(C)cc2)C1
InChIInChI=1S/C21H28N2O3/c1-4-21(25,5-2)17-7-6-12-23(13-17)20(24)18-14-26-22-19(18)16-10-8-15(3)9-11-16/h8-11,14,17,25H,4-7,12-13H2,1-3H3
InChIKeyMEXOHMWWDIKXBQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.05
Rot. Bonds5

About [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone

[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 59170256) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
PubChem CID59170256
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCCC(O)(CC)C1CCCN(C(=O)c2conc2-c2ccc(C)cc2)C1
InChIInChI=1S/C21H28N2O3/c1-4-21(25,5-2)17-7-6-12-23(13-17)20(24)18-14-26-22-19(18)16-10-8-15(3)9-11-16/h8-11,14,17,25H,4-7,12-13H2,1-3H3
InChIKeyMEXOHMWWDIKXBQ-UHFFFAOYSA-N
XLogP4.05
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone with MolForge

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Related Compounds

[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111477052
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491249
(3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 129381228
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 68933445
(3-ethylsulfanylazepan-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 126839952
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 72935518
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
2-methyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 83197337
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 119074099
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 43046940

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (CID 59170256) is [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is CCC(O)(CC)C1CCCN(C(=O)c2conc2-c2ccc(C)cc2)C1.
What is the InChIKey of [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is MEXOHMWWDIKXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-21(25,5-2)17-7-6-12-23(13-17)20(24)18-14-26-22-19(18)16-10-8-15(3)9-11-16/h8-11,14,17,25H,4-7,12-13H2,1-3H3.
What are the key properties of [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 59170256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).