5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole

C12H20N2O — CID 83909253

IUPAC5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole
SMILESCCC(c1cc(C)on1)C1CCNCC1
InChIInChI=1S/C12H20N2O/c1-3-11(10-4-6-13-7-5-10)12-8-9(2)15-14-12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyFVVQAOCMSKETMU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.48
Rot. Bonds3

About 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole

5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole (PubChem CID 83909253) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole
PubChem CID83909253
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole
SMILESCCC(c1cc(C)on1)C1CCNCC1
InChIInChI=1S/C12H20N2O/c1-3-11(10-4-6-13-7-5-10)12-8-9(2)15-14-12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyFVVQAOCMSKETMU-UHFFFAOYSA-N
XLogP2.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

exo-2-(3-Methyl-5-isoxazolyl)-7-azabicyclo[2.2.1]heptane hydrochloride
CID 9794379
Epiboxidine
CID 5747670
7-(3-Methylisoxazol-5-yl)-6-aza-bicyclo[2.2.1]heptane
CID 21574409
Exo-epiboxidine
CID 44577577
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole
CID 14685516
Endo-epiboxidine
CID 44577578
5-(8-Azabicyclo[3.2.1]octan-3-yl)-3-methyl-1,2-oxazole;oxalic acid
CID 46905352
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
CID 40777334
5-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-3-propan-2-yl-1,2-oxazole
CID 56677105
N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774179
(3-Isobutylisoxazol-5-yl)methanamine
CID 6484233
Isoxazole, 5-methyl-3-(2-piperidinoethyl)-, hydrochloride
CID 13687

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole (CID 83909253) is 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole is CCC(c1cc(C)on1)C1CCNCC1.
What is the InChIKey of 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole?
The InChIKey is FVVQAOCMSKETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11(10-4-6-13-7-5-10)12-8-9(2)15-14-12/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole?
5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole has a molecular weight of 208.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-piperidin-4-ylpropyl)-1,2-oxazole is sourced from PubChem (CID 83909253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).