8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine

C13H20FN3O — CID 166572720

IUPAC8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine
SMILESCC(C)(C)c1ncn2c1OCC(N1CC(F)C1)C2
InChIInChI=1S/C13H20FN3O/c1-13(2,3)11-12-17(8-15-11)6-10(7-18-12)16-4-9(14)5-16/h8-10H,4-7H2,1-3H3
InChIKeyDWIXZUSZNPVYOI-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.60
Rot. Bonds1

About 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine

8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine (PubChem CID 166572720) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine
PubChem CID166572720
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine
SMILESCC(C)(C)c1ncn2c1OCC(N1CC(F)C1)C2
InChIInChI=1S/C13H20FN3O/c1-13(2,3)11-12-17(8-15-11)6-10(7-18-12)16-4-9(14)5-16/h8-10H,4-7H2,1-3H3
InChIKeyDWIXZUSZNPVYOI-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 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine?
The IUPAC name of 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine (CID 166572720) is 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine.
What is the SMILES notation for 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine?
The canonical SMILES for 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine is CC(C)(C)c1ncn2c1OCC(N1CC(F)C1)C2.
What is the InChIKey of 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine?
The InChIKey is DWIXZUSZNPVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-13(2,3)11-12-17(8-15-11)6-10(7-18-12)16-4-9(14)5-16/h8-10H,4-7H2,1-3H3.
What are the key properties of 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine?
8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[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 8-tert-butyl-3-(3-fluoroazetidin-1-yl)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166572720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).