5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine

C12H8FN3O — CID 118867671

IUPAC5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESNc1noc2ncc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C12H8FN3O/c13-9-3-1-7(2-4-9)8-5-10-11(14)16-17-12(10)15-6-8/h1-6H,(H2,14,16)
InChIKeyXSXPOYXHVYJXFZ-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.61
Rot. Bonds1

About 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine

5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 118867671) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID118867671
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESNc1noc2ncc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C12H8FN3O/c13-9-3-1-7(2-4-9)8-5-10-11(14)16-17-12(10)15-6-8/h1-6H,(H2,14,16)
InChIKeyXSXPOYXHVYJXFZ-UHFFFAOYSA-N
XLogP2.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 118867671) is 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine is Nc1noc2ncc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is XSXPOYXHVYJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-3-1-7(2-4-9)8-5-10-11(14)16-17-12(10)15-6-8/h1-6H,(H2,14,16).
What are the key properties of 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine?
5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 229.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 118867671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).