(3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone

C8H9FN2O2 — CID 130709361

IUPAC(3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone
SMILESCC1(F)CN(C(=O)c2cnco2)C1
InChIInChI=1S/C8H9FN2O2/c1-8(9)3-11(4-8)7(12)6-2-10-5-13-6/h2,5H,3-4H2,1H3
InChIKeyQTRIIRRCBOASSF-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.86
Rot. Bonds1

About (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone

(3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone (PubChem CID 130709361) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone
PubChem CID130709361
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone
SMILESCC1(F)CN(C(=O)c2cnco2)C1
InChIInChI=1S/C8H9FN2O2/c1-8(9)3-11(4-8)7(12)6-2-10-5-13-6/h2,5H,3-4H2,1H3
InChIKeyQTRIIRRCBOASSF-UHFFFAOYSA-N
XLogP0.86
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone?
The IUPAC name of (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone (CID 130709361) is (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone is CC1(F)CN(C(=O)c2cnco2)C1.
What is the InChIKey of (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone?
The InChIKey is QTRIIRRCBOASSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-8(9)3-11(4-8)7(12)6-2-10-5-13-6/h2,5H,3-4H2,1H3.
What are the key properties of (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone?
(3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone has a molecular weight of 184.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylazetidin-1-yl)-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 130709361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).