1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one

C11H12N2O2 — CID 22486203

IUPAC1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one
SMILESCCCCC(=O)c1nc2ncccc2o1
InChIInChI=1S/C11H12N2O2/c1-2-3-5-8(14)11-13-10-9(15-11)6-4-7-12-10/h4,6-7H,2-3,5H2,1H3
InChIKeyFBFLUTUPSIYUIG-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.60
Rot. Bonds4

About 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one (PubChem CID 22486203) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one
PubChem CID22486203
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one
SMILESCCCCC(=O)c1nc2ncccc2o1
InChIInChI=1S/C11H12N2O2/c1-2-3-5-8(14)11-13-10-9(15-11)6-4-7-12-10/h4,6-7H,2-3,5H2,1H3
InChIKeyFBFLUTUPSIYUIG-UHFFFAOYSA-N
XLogP2.60
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-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-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one?
The IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one (CID 22486203) is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one.
What is the SMILES notation for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one?
The canonical SMILES for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one is CCCCC(=O)c1nc2ncccc2o1.
What is the InChIKey of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one?
The InChIKey is FBFLUTUPSIYUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-3-5-8(14)11-13-10-9(15-11)6-4-7-12-10/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one?
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one has a molecular weight of 204.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pentan-1-one is sourced from PubChem (CID 22486203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).