8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C10H17NO3 — CID 14638531

IUPAC8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCCCC1CCC(O)C2COC(=O)N12
InChIInChI=1S/C10H17NO3/c1-2-3-7-4-5-9(12)8-6-14-10(13)11(7)8/h7-9,12H,2-6H2,1H3
InChIKeyVGEHEUNMMALEQA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.13
Rot. Bonds2

About 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 14638531) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID14638531
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCCCC1CCC(O)C2COC(=O)N12
InChIInChI=1S/C10H17NO3/c1-2-3-7-4-5-9(12)8-6-14-10(13)11(7)8/h7-9,12H,2-6H2,1H3
InChIKeyVGEHEUNMMALEQA-UHFFFAOYSA-N
XLogP1.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-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 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 14638531) is 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is CCCC1CCC(O)C2COC(=O)N12.
What is the InChIKey of 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is VGEHEUNMMALEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-7-4-5-9(12)8-6-14-10(13)11(7)8/h7-9,12H,2-6H2,1H3.
What are the key properties of 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 199.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 14638531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).