(3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone

C7H6F2N2O2 — CID 130649683

IUPAC(3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CC(F)(F)C1
InChIInChI=1S/C7H6F2N2O2/c8-7(9)2-11(3-7)6(12)5-1-10-4-13-5/h1,4H,2-3H2
InChIKeyANCNWXYNRSOZOW-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.77
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone

(3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone (PubChem CID 130649683) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone
PubChem CID130649683
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name(3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone
SMILESO=C(c1cnco1)N1CC(F)(F)C1
InChIInChI=1S/C7H6F2N2O2/c8-7(9)2-11(3-7)6(12)5-1-10-4-13-5/h1,4H,2-3H2
InChIKeyANCNWXYNRSOZOW-UHFFFAOYSA-N
XLogP0.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone (CID 130649683) is (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone is O=C(c1cnco1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone?
The InChIKey is ANCNWXYNRSOZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-7(9)2-11(3-7)6(12)5-1-10-4-13-5/h1,4H,2-3H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone has a molecular weight of 188.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 130649683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).