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

C15H15FN4O2 — CID 134563850

IUPAC(3-fluoroazetidin-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)C1
InChIInChI=1S/C15H15FN4O2/c16-11-8-19(9-11)15(21)13-17-14-12(10-4-2-1-3-5-10)22-7-6-20(14)18-13/h1-5,11-12H,6-9H2
InChIKeyAQJZGJHUTGAKBA-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.19
Rot. Bonds2

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

(3-fluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone (PubChem CID 134563850) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is (3-fluoroazetidin-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-fluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone
PubChem CID134563850
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name(3-fluoroazetidin-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)C1
InChIInChI=1S/C15H15FN4O2/c16-11-8-19(9-11)15(21)13-17-14-12(10-4-2-1-3-5-10)22-7-6-20(14)18-13/h1-5,11-12H,6-9H2
InChIKeyAQJZGJHUTGAKBA-UHFFFAOYSA-N
XLogP1.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-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-fluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone (CID 134563850) is (3-fluoroazetidin-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-fluoroazetidin-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-fluoroazetidin-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)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone?
The InChIKey is AQJZGJHUTGAKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-11-8-19(9-11)15(21)13-17-14-12(10-4-2-1-3-5-10)22-7-6-20(14)18-13/h1-5,11-12H,6-9H2.
What are the key properties of (3-fluoroazetidin-1-yl)-(8-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone?
(3-fluoroazetidin-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 302.31 g/mol, XLogP of 1.19, 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-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl)methanone is sourced from PubChem (CID 134563850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).