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

C15H13F3N4O2 — CID 134563925

IUPAC(3,3-difluoroazetidin-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)(F)C1
InChIInChI=1S/C15H13F3N4O2/c16-10-4-2-1-3-9(10)11-13-19-12(20-22(13)5-6-24-11)14(23)21-7-15(17,18)8-21/h1-4,11H,5-8H2
InChIKeyRHTGYLULMBEDCF-UHFFFAOYSA-N
MW338.29 g/mol
LogP1.63
Rot. Bonds2

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

(3,3-difluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone (PubChem CID 134563925) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is (3,3-difluoroazetidin-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(3,3-difluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone
PubChem CID134563925
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name(3,3-difluoroazetidin-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)(F)C1
InChIInChI=1S/C15H13F3N4O2/c16-10-4-2-1-3-9(10)11-13-19-12(20-22(13)5-6-24-11)14(23)21-7-15(17,18)8-21/h1-4,11H,5-8H2
InChIKeyRHTGYLULMBEDCF-UHFFFAOYSA-N
XLogP1.63
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]butan-1-one
CID 134577434
(3,3-difluoroazetidin-1-yl)-(7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 134563970
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110609411
[2-(2-fluorophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 84510735
(3,3-difluoroazetidin-1-yl)-(5-phenyl-6,7,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-8-yl)methanone;(3-fluoroazetidin-1-yl)-(5-phenyl-6,7,9-triazatricyclo[4.3.0.02,4]nona-1(9),7-dien-8-yl)methanone
CID 159008570
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971
cyclopentyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 71684127
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
1-bicyclo[2.2.1]heptanyl-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 146088807

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-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 (3,3-difluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone (CID 134563925) is (3,3-difluoroazetidin-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 (3,3-difluoroazetidin-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 (3,3-difluoroazetidin-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)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-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 RHTGYLULMBEDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c16-10-4-2-1-3-9(10)11-13-19-12(20-22(13)5-6-24-11)14(23)21-7-15(17,18)8-21/h1-4,11H,5-8H2.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[8-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone?
(3,3-difluoroazetidin-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 338.29 g/mol, XLogP of 1.63, 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-(2-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-yl]methanone is sourced from PubChem (CID 134563925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).