(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone

C23H24N2O3 — CID 59170036

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccc(-c2oncc2C(=O)N2CCC(O)(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-17-7-9-19(10-8-17)21-20(16-24-28-21)22(26)25-13-11-23(27,12-14-25)15-18-5-3-2-4-6-18/h2-10,16,27H,11-15H2,1H3
InChIKeyJCVTYHNGQPULGI-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.86
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (PubChem CID 59170036) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
PubChem CID59170036
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
SMILESCc1ccc(-c2oncc2C(=O)N2CCC(O)(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H24N2O3/c1-17-7-9-19(10-8-17)21-20(16-24-28-21)22(26)25-13-11-23(27,12-14-25)15-18-5-3-2-4-6-18/h2-10,16,27H,11-15H2,1H3
InChIKeyJCVTYHNGQPULGI-UHFFFAOYSA-N
XLogP3.86
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 110647508
N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 143615411
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 74243553
(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
CID 136539060
[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 110647763
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
4-[5-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 110647825
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 90648190
[(2R)-2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170199
(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone
CID 89485449
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24809686
N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide
CID 110649624

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone (CID 59170036) is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is Cc1ccc(-c2oncc2C(=O)N2CCC(O)(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is JCVTYHNGQPULGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-17-7-9-19(10-8-17)21-20(16-24-28-21)22(26)25-13-11-23(27,12-14-25)15-18-5-3-2-4-6-18/h2-10,16,27H,11-15H2,1H3.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 59170036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).