1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one

C11H11NO2 — CID 10655260

IUPAC1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one
SMILESO=C1OCC2Cc3ccccc3CN12
InChIInChI=1S/C11H11NO2/c13-11-12-6-9-4-2-1-3-8(9)5-10(12)7-14-11/h1-4,10H,5-7H2
InChIKeyPQFFRQRPJFUMFO-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.56
Rot. Bonds

About 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one

1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one (PubChem CID 10655260) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one.

Molecular Properties

Compound Name1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one
PubChem CID10655260
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one
SMILESO=C1OCC2Cc3ccccc3CN12
InChIInChI=1S/C11H11NO2/c13-11-12-6-9-4-2-1-3-8(9)5-10(12)7-14-11/h1-4,10H,5-7H2
InChIKeyPQFFRQRPJFUMFO-UHFFFAOYSA-N
XLogP1.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-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 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one?
The IUPAC name of 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one (CID 10655260) is 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one.
What is the SMILES notation for 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one?
The canonical SMILES for 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one is O=C1OCC2Cc3ccccc3CN12.
What is the InChIKey of 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one?
The InChIKey is PQFFRQRPJFUMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11-12-6-9-4-2-1-3-8(9)5-10(12)7-14-11/h1-4,10H,5-7H2.
What are the key properties of 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one?
1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one has a molecular weight of 189.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one is sourced from PubChem (CID 10655260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).