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

C15H14F2N4O2 — CID 134563892

IUPAC(3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone
SMILESO=C(c1nc2n(n1)CCOC2c1ccccc1)N1CC(F)(F)C1
InChIInChI=1S/C15H14F2N4O2/c16-15(17)8-20(9-15)14(22)12-18-13-11(10-4-2-1-3-5-10)23-7-6-21(13)19-12/h1-5,11H,6-9H2
InChIKeyQLLOQEATCVDLPP-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.49
Rot. Bonds2

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

(3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone (PubChem CID 134563892) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone
PubChem CID134563892
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name(3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone
SMILESO=C(c1nc2n(n1)CCOC2c1ccccc1)N1CC(F)(F)C1
InChIInChI=1S/C15H14F2N4O2/c16-15(17)8-20(9-15)14(22)12-18-13-11(10-4-2-1-3-5-10)23-7-6-21(13)19-12/h1-5,11H,6-9H2
InChIKeyQLLOQEATCVDLPP-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone (CID 134563892) is (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone is O=C(c1nc2n(n1)CCOC2c1ccccc1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone?
The InChIKey is QLLOQEATCVDLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-15(17)8-20(9-15)14(22)12-18-13-11(10-4-2-1-3-5-10)23-7-6-21(13)19-12/h1-5,11H,6-9H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(8-phenyl-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 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone is sourced from PubChem (CID 134563892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).