5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one

C11H18N2O2 — CID 23500572

IUPAC5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one
SMILESCCCC(C)C1CCCc2noc(=O)n21
InChIInChI=1S/C11H18N2O2/c1-3-5-8(2)9-6-4-7-10-12-15-11(14)13(9)10/h8-9H,3-7H2,1-2H3
InChIKeyUSJSPHAHSZKEPD-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.15
Rot. Bonds3

About 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one

5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one (PubChem CID 23500572) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one
PubChem CID23500572
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one
SMILESCCCC(C)C1CCCc2noc(=O)n21
InChIInChI=1S/C11H18N2O2/c1-3-5-8(2)9-6-4-7-10-12-15-11(14)13(9)10/h8-9H,3-7H2,1-2H3
InChIKeyUSJSPHAHSZKEPD-UHFFFAOYSA-N
XLogP2.15
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one?
The IUPAC name of 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one (CID 23500572) is 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one is CCCC(C)C1CCCc2noc(=O)n21.
What is the InChIKey of 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one?
The InChIKey is USJSPHAHSZKEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-8(2)9-6-4-7-10-12-15-11(14)13(9)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one?
5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one has a molecular weight of 210.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yl-5,6,7,8-tetrahydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 23500572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).