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

C10H14N2O2 — CID 82401136

IUPAC3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one
SMILESCc1nc(C2CNCCC2=O)oc1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)14-10(12-6)8-5-11-4-3-9(8)13/h8,11H,3-5H2,1-2H3
InChIKeyPGACVEMNSDECIP-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.94
Rot. Bonds1

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

3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one (PubChem CID 82401136) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one
PubChem CID82401136
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one
SMILESCc1nc(C2CNCCC2=O)oc1C
InChIInChI=1S/C10H14N2O2/c1-6-7(2)14-10(12-6)8-5-11-4-3-9(8)13/h8,11H,3-5H2,1-2H3
InChIKeyPGACVEMNSDECIP-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one?
The IUPAC name of 3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one (CID 82401136) is 3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one?
The canonical SMILES for 3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one is Cc1nc(C2CNCCC2=O)oc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one?
The InChIKey is PGACVEMNSDECIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-7(2)14-10(12-6)8-5-11-4-3-9(8)13/h8,11H,3-5H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one?
3-(4,5-dimethyl-1,3-oxazol-2-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-(4,5-dimethyl-1,3-oxazol-2-yl)piperidin-4-one is sourced from PubChem (CID 82401136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).