1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one

C12H17N3O3 — CID 72914075

IUPAC1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C12H17N3O3/c16-11-3-1-2-5-15(11)7-10-13-12(14-18-10)9-4-6-17-8-9/h9H,1-8H2
InChIKeyUULOQUHOHLGTFP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.09
Rot. Bonds3

About 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one

1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one (PubChem CID 72914075) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
PubChem CID72914075
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C12H17N3O3/c16-11-3-1-2-5-15(11)7-10-13-12(14-18-10)9-4-6-17-8-9/h9H,1-8H2
InChIKeyUULOQUHOHLGTFP-UHFFFAOYSA-N
XLogP1.09
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one (CID 72914075) is 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one is O=C1CCCCN1Cc1nc(C2CCOC2)no1.
What is the InChIKey of 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
The InChIKey is UULOQUHOHLGTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11-3-1-2-5-15(11)7-10-13-12(14-18-10)9-4-6-17-8-9/h9H,1-8H2.
What are the key properties of 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one?
1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-one is sourced from PubChem (CID 72914075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).