(3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone

C16H15F2N3O2 — CID 134563870

IUPAC(3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCOC2c1ccccc1)N1CC(F)(F)C1
InChIInChI=1S/C16H15F2N3O2/c17-16(18)9-20(10-16)15(22)12-8-13-14(11-4-2-1-3-5-11)23-7-6-21(13)19-12/h1-5,8,14H,6-7,9-10H2
InChIKeyZVJMVTHFJVTHAC-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.09
Rot. Bonds2

About (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone

(3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone (PubChem CID 134563870) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone
PubChem CID134563870
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name(3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCOC2c1ccccc1)N1CC(F)(F)C1
InChIInChI=1S/C16H15F2N3O2/c17-16(18)9-20(10-16)15(22)12-8-13-14(11-4-2-1-3-5-11)23-7-6-21(13)19-12/h1-5,8,14H,6-7,9-10H2
InChIKeyZVJMVTHFJVTHAC-UHFFFAOYSA-N
XLogP2.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone (CID 134563870) is (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone is O=C(c1cc2n(n1)CCOC2c1ccccc1)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone?
The InChIKey is ZVJMVTHFJVTHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-16(18)9-20(10-16)15(22)12-8-13-14(11-4-2-1-3-5-11)23-7-6-21(13)19-12/h1-5,8,14H,6-7,9-10H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone has a molecular weight of 319.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanone is sourced from PubChem (CID 134563870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).