3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C13H20FN3O — CID 146612982

IUPAC3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)(C)c1cnn2c1OCC(N1CC(F)C1)C2
InChIInChI=1S/C13H20FN3O/c1-13(2,3)11-4-15-17-7-10(8-18-12(11)17)16-5-9(14)6-16/h4,9-10H,5-8H2,1-3H3
InChIKeySOVJOUDVOZPZFJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.60
Rot. Bonds1

About 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 146612982) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID146612982
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)(C)c1cnn2c1OCC(N1CC(F)C1)C2
InChIInChI=1S/C13H20FN3O/c1-13(2,3)11-4-15-17-7-10(8-18-12(11)17)16-5-9(14)6-16/h4,9-10H,5-8H2,1-3H3
InChIKeySOVJOUDVOZPZFJ-UHFFFAOYSA-N
XLogP1.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 146612982) is 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)(C)c1cnn2c1OCC(N1CC(F)C1)C2.
What is the InChIKey of 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is SOVJOUDVOZPZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-13(2,3)11-4-15-17-7-10(8-18-12(11)17)16-5-9(14)6-16/h4,9-10H,5-8H2,1-3H3.
What are the key properties of 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 253.32 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 146612982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).