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

C10H14N2O2 — CID 67004433

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one
SMILESCc1noc(C)c1N1CCC(=O)CC1
InChIInChI=1S/C10H14N2O2/c1-7-10(8(2)14-11-7)12-5-3-9(13)4-6-12/h3-6H2,1-2H3
InChIKeyBGFSTDFGOCHWMV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.46
Rot. Bonds1

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one (PubChem CID 67004433) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one
PubChem CID67004433
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one
SMILESCc1noc(C)c1N1CCC(=O)CC1
InChIInChI=1S/C10H14N2O2/c1-7-10(8(2)14-11-7)12-5-3-9(13)4-6-12/h3-6H2,1-2H3
InChIKeyBGFSTDFGOCHWMV-UHFFFAOYSA-N
XLogP1.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one (CID 67004433) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one is Cc1noc(C)c1N1CCC(=O)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one?
The InChIKey is BGFSTDFGOCHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-10(8(2)14-11-7)12-5-3-9(13)4-6-12/h3-6H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one?
1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-one is sourced from PubChem (CID 67004433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).