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

C13H11FN4O — CID 44555284

IUPAC5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3ccc(F)nc3o2)cn1
InChIInChI=1S/C13H11FN4O/c1-18(2)11-6-3-8(7-15-11)12-16-9-4-5-10(14)17-13(9)19-12/h3-7H,1-2H3
InChIKeyPOVJSNJERXIMBX-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.49
Rot. Bonds2

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

5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine (PubChem CID 44555284) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
PubChem CID44555284
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3ccc(F)nc3o2)cn1
InChIInChI=1S/C13H11FN4O/c1-18(2)11-6-3-8(7-15-11)12-16-9-4-5-10(14)17-13(9)19-12/h3-7H,1-2H3
InChIKeyPOVJSNJERXIMBX-UHFFFAOYSA-N
XLogP2.49
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

MK-3328
CID 44555286
4-Oxazolo[5,4-b]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 11447932
5-Fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44552725
5-Fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44552727
5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-oxazolo[5,4-b]pyridine
CID 44555283
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine
CID 58220153
2-(3-Fluorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
CID 71256288
2-(4-Fluorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
CID 71256332
5-Fluoro-2-[1-(tritritiomethyl)pyrrolo[2,3-b]pyridin-5-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 71459372
MK-3328 F-18
CID 53243932
{5-[7-(1-Benzyl-hexahydro-pyrrolo[3,4-b]pyrrol-5-yl)-oxazolo[5,4-d]pyrimidin-2-yl]-pyridin-2-yl}-dimethyl-amine
CID 10003439
3-(4-{[2-(2,3-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)-2,5-dimethylpyrazine
CID 16187555

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine (CID 44555284) is 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2nc3ccc(F)nc3o2)cn1.
What is the InChIKey of 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine?
The InChIKey is POVJSNJERXIMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-18(2)11-6-3-8(7-15-11)12-16-9-4-5-10(14)17-13(9)19-12/h3-7H,1-2H3.
What are the key properties of 5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine?
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine has a molecular weight of 258.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 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,N-dimethylpyridin-2-amine is sourced from PubChem (CID 44555284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).