4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol

C17H22N2O2 — CID 80703344

IUPAC4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
SMILESCc1ccc(-c2nc(CN3CCC(C)(O)CC3)co2)cc1
InChIInChI=1S/C17H22N2O2/c1-13-3-5-14(6-4-13)16-18-15(12-21-16)11-19-9-7-17(2,20)8-10-19/h3-6,12,20H,7-11H2,1-2H3
InChIKeyMUNSBZLVSLIBIW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.00
Rot. Bonds3

About 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol

4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol (PubChem CID 80703344) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
PubChem CID80703344
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
SMILESCc1ccc(-c2nc(CN3CCC(C)(O)CC3)co2)cc1
InChIInChI=1S/C17H22N2O2/c1-13-3-5-14(6-4-13)16-18-15(12-21-16)11-19-9-7-17(2,20)8-10-19/h3-6,12,20H,7-11H2,1-2H3
InChIKeyMUNSBZLVSLIBIW-UHFFFAOYSA-N
XLogP3.00
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
4-(5-methyl-2-pyridinyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 91843452
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 115873830
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 56662511
[1-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773467
3-(4-methoxyphenyl)-5-[[4-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30722370
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
4-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 51076546
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925586

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol (CID 80703344) is 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol is Cc1ccc(-c2nc(CN3CCC(C)(O)CC3)co2)cc1.
What is the InChIKey of 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is MUNSBZLVSLIBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-3-5-14(6-4-13)16-18-15(12-21-16)11-19-9-7-17(2,20)8-10-19/h3-6,12,20H,7-11H2,1-2H3.
What are the key properties of 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol?
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 286.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 80703344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).