1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one

C18H14FN3O2 — CID 71221127

IUPAC1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one
SMILESCC(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1
InChIInChI=1S/C18H14FN3O2/c1-10(23)5-11-6-16-17(20-8-11)21-18(24-16)14-9-22(2)15-7-12(19)3-4-13(14)15/h3-4,6-9H,5H2,1-2H3
InChIKeyIASIEAWLFRIVGB-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.65
Rot. Bonds3

About 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one

1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one (PubChem CID 71221127) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one
PubChem CID71221127
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one
SMILESCC(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1
InChIInChI=1S/C18H14FN3O2/c1-10(23)5-11-6-16-17(20-8-11)21-18(24-16)14-9-22(2)15-7-12(19)3-4-13(14)15/h3-4,6-9H,5H2,1-2H3
InChIKeyIASIEAWLFRIVGB-UHFFFAOYSA-N
XLogP3.65
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-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-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one?
The IUPAC name of 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one (CID 71221127) is 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one.
What is the SMILES notation for 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one?
The canonical SMILES for 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one is CC(=O)Cc1cnc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1.
What is the InChIKey of 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one?
The InChIKey is IASIEAWLFRIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-10(23)5-11-6-16-17(20-8-11)21-18(24-16)14-9-22(2)15-7-12(19)3-4-13(14)15/h3-4,6-9H,5H2,1-2H3.
What are the key properties of 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one?
1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one has a molecular weight of 323.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1-methylindol-3-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]propan-2-one is sourced from PubChem (CID 71221127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).