1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one

C11H11NO2 — CID 68746226

IUPAC1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one
SMILESO=C1Cc2ccccc2N2COCC12
InChIInChI=1S/C11H11NO2/c13-11-5-8-3-1-2-4-9(8)12-7-14-6-10(11)12/h1-4,10H,5-7H2
InChIKeySQPSLOQFKZLNLE-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.97
Rot. Bonds

About 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one

1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one (PubChem CID 68746226) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one.

Molecular Properties

Compound Name1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one
PubChem CID68746226
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one
SMILESO=C1Cc2ccccc2N2COCC12
InChIInChI=1S/C11H11NO2/c13-11-5-8-3-1-2-4-9(8)12-7-14-6-10(11)12/h1-4,10H,5-7H2
InChIKeySQPSLOQFKZLNLE-UHFFFAOYSA-N
XLogP0.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one?
The IUPAC name of 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one (CID 68746226) is 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one.
What is the SMILES notation for 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one?
The canonical SMILES for 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one is O=C1Cc2ccccc2N2COCC12.
What is the InChIKey of 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one?
The InChIKey is SQPSLOQFKZLNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11-5-8-3-1-2-4-9(8)12-7-14-6-10(11)12/h1-4,10H,5-7H2.
What are the key properties of 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one?
1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one has a molecular weight of 189.21 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-4-one is sourced from PubChem (CID 68746226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).