5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine

C12H9FN4O — CID 58220153

IUPAC5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3ccc(F)nc3o2)cn1
InChIInChI=1S/C12H9FN4O/c1-14-10-5-2-7(6-15-10)11-16-8-3-4-9(13)17-12(8)18-11/h2-6H,1H3,(H,14,15)
InChIKeyLPDLINUDQQYBEF-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.47
Rot. Bonds2

About 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine

5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine (PubChem CID 58220153) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine
PubChem CID58220153
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3ccc(F)nc3o2)cn1
InChIInChI=1S/C12H9FN4O/c1-14-10-5-2-7(6-15-10)11-16-8-3-4-9(13)17-12(8)18-11/h2-6H,1H3,(H,14,15)
InChIKeyLPDLINUDQQYBEF-UHFFFAOYSA-N
XLogP2.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine 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-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine?
The IUPAC name of 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine (CID 58220153) is 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine is CNc1ccc(-c2nc3ccc(F)nc3o2)cn1.
What is the InChIKey of 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine?
The InChIKey is LPDLINUDQQYBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-14-10-5-2-7(6-15-10)11-16-8-3-4-9(13)17-12(8)18-11/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine?
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine has a molecular weight of 244.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 58220153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).