(3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone

C15H14F2N4O2 — CID 134571294

IUPAC(3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone
SMILESO=C(c1nc2n(n1)CCOC2c1ccccc1F)N1CC(F)C1
InChIInChI=1S/C15H14F2N4O2/c16-9-7-20(8-9)15(22)13-18-14-12(23-6-5-21(14)19-13)10-3-1-2-4-11(10)17/h1-4,9,12H,5-8H2
InChIKeyNBKIXTMZUITHST-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.33
Rot. Bonds2

About (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone

(3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone (PubChem CID 134571294) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone
PubChem CID134571294
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name(3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone
SMILESO=C(c1nc2n(n1)CCOC2c1ccccc1F)N1CC(F)C1
InChIInChI=1S/C15H14F2N4O2/c16-9-7-20(8-9)15(22)13-18-14-12(23-6-5-21(14)19-13)10-3-1-2-4-11(10)17/h1-4,9,12H,5-8H2
InChIKeyNBKIXTMZUITHST-UHFFFAOYSA-N
XLogP1.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone (CID 134571294) is (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone is O=C(c1nc2n(n1)CCOC2c1ccccc1F)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone?
The InChIKey is NBKIXTMZUITHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-9-7-20(8-9)15(22)13-18-14-12(23-6-5-21(14)19-13)10-3-1-2-4-11(10)17/h1-4,9,12H,5-8H2.
What are the key properties of (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone?
(3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone has a molecular weight of 320.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone is sourced from PubChem (CID 134571294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).