1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone

C13H20N2O2 — CID 115093363

IUPAC1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1C1CCN(C(C)C)CC1
InChIInChI=1S/C13H20N2O2/c1-9(2)15-6-4-11(5-7-15)13-12(10(3)16)8-14-17-13/h8-9,11H,4-7H2,1-3H3
InChIKeyLNOQIHILIIWBLA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.46
Rot. Bonds3

About 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone

1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone (PubChem CID 115093363) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone
PubChem CID115093363
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1C1CCN(C(C)C)CC1
InChIInChI=1S/C13H20N2O2/c1-9(2)15-6-4-11(5-7-15)13-12(10(3)16)8-14-17-13/h8-9,11H,4-7H2,1-3H3
InChIKeyLNOQIHILIIWBLA-UHFFFAOYSA-N
XLogP2.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone (CID 115093363) is 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1C1CCN(C(C)C)CC1.
What is the InChIKey of 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone?
The InChIKey is LNOQIHILIIWBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)15-6-4-11(5-7-15)13-12(10(3)16)8-14-17-13/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone?
1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 115093363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).