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

C16H14F3N3O2 — CID 162572374

IUPAC(3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone
SMILESO=C(c1cc2n(n1)CCOC2c1ccccc1F)N1CC(F)(F)C1
InChIInChI=1S/C16H14F3N3O2/c17-11-4-2-1-3-10(11)14-13-7-12(20-22(13)5-6-24-14)15(23)21-8-16(18,19)9-21/h1-4,7,14H,5-6,8-9H2
InChIKeyJZHFJQRWHXGIPC-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.23
Rot. Bonds2

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

(3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone (PubChem CID 162572374) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone
PubChem CID162572374
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name(3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone
SMILESO=C(c1cc2n(n1)CCOC2c1ccccc1F)N1CC(F)(F)C1
InChIInChI=1S/C16H14F3N3O2/c17-11-4-2-1-3-10(11)14-13-7-12(20-22(13)5-6-24-14)15(23)21-8-16(18,19)9-21/h1-4,7,14H,5-6,8-9H2
InChIKeyJZHFJQRWHXGIPC-UHFFFAOYSA-N
XLogP2.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.23
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-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone (CID 162572374) is (3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-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-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone is O=C(c1cc2n(n1)CCOC2c1ccccc1F)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone?
The InChIKey is JZHFJQRWHXGIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-11-4-2-1-3-10(11)14-13-7-12(20-22(13)5-6-24-14)15(23)21-8-16(18,19)9-21/h1-4,7,14H,5-6,8-9H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone has a molecular weight of 337.30 g/mol, XLogP of 2.23, 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-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanone is sourced from PubChem (CID 162572374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).