1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone

C8H9FN2O2 — CID 130637166

IUPAC1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone
SMILESO=C(Cc1ccon1)N1CC(F)C1
InChIInChI=1S/C8H9FN2O2/c9-6-4-11(5-6)8(12)3-7-1-2-13-10-7/h1-2,6H,3-5H2
InChIKeyAIKRHOXSUUGNQB-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.40
Rot. Bonds2

About 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone

1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone (PubChem CID 130637166) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone
PubChem CID130637166
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone
SMILESO=C(Cc1ccon1)N1CC(F)C1
InChIInChI=1S/C8H9FN2O2/c9-6-4-11(5-6)8(12)3-7-1-2-13-10-7/h1-2,6H,3-5H2
InChIKeyAIKRHOXSUUGNQB-UHFFFAOYSA-N
XLogP0.40
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone (CID 130637166) is 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone is O=C(Cc1ccon1)N1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone?
The InChIKey is AIKRHOXSUUGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-6-4-11(5-6)8(12)3-7-1-2-13-10-7/h1-2,6H,3-5H2.
What are the key properties of 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone?
1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone has a molecular weight of 184.17 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)-2-(1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 130637166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).