3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one

C10H14N2O2 — CID 82401135

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one
SMILESCc1noc(C)c1C1CNCCC1=O
InChIInChI=1S/C10H14N2O2/c1-6-10(7(2)14-12-6)8-5-11-4-3-9(8)13/h8,11H,3-5H2,1-2H3
InChIKeyOHRFHPHCKIBLDV-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.94
Rot. Bonds1

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one (PubChem CID 82401135) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one
PubChem CID82401135
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one
SMILESCc1noc(C)c1C1CNCCC1=O
InChIInChI=1S/C10H14N2O2/c1-6-10(7(2)14-12-6)8-5-11-4-3-9(8)13/h8,11H,3-5H2,1-2H3
InChIKeyOHRFHPHCKIBLDV-UHFFFAOYSA-N
XLogP0.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one 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

2-(3,5-Diethyl-1,2-oxazol-4-yl)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71856772
1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 71972548
1-[4-(Cyclopentanecarbonyl)piperazin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 71972636
N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-1-isopropyl-4-piperidinecarboxamide
CID 72856858
1-(cyclobutylcarbonyl)-N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-4-piperidinecarboxamide
CID 72859242
1-(cyclopropylcarbonyl)-N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-4-piperidinecarboxamide
CID 72871515
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 97404558
(1S,11R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201271
3-Ethyl-5-methyl-4-(pyrrolidin-2-yl)-1,2-oxazole
CID 25248268
2-(Dimethyl-1,2-oxazol-4-yl)-1-(piperazin-1-yl)ethan-1-one
CID 16228155
2-[1-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]acetamide
CID 47228360

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one (CID 82401135) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one is Cc1noc(C)c1C1CNCCC1=O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one?
The InChIKey is OHRFHPHCKIBLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-10(7(2)14-12-6)8-5-11-4-3-9(8)13/h8,11H,3-5H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one is sourced from PubChem (CID 82401135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).