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

C11H16FN3O — CID 138579720

IUPAC(6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCCc1cnn2c1OC[C@H](N1CC(F)C1)C2
InChIInChI=1S/C11H16FN3O/c1-2-8-3-13-15-6-10(7-16-11(8)15)14-4-9(12)5-14/h3,9-10H,2,4-7H2,1H3/t10-/m1/s1
InChIKeyVLVLKPADGVCVOF-SNVBAGLBSA-N
MW225.27 g/mol
LogP0.86
Rot. Bonds2

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

(6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 138579720) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID138579720
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCCc1cnn2c1OC[C@H](N1CC(F)C1)C2
InChIInChI=1S/C11H16FN3O/c1-2-8-3-13-15-6-10(7-16-11(8)15)14-4-9(12)5-14/h3,9-10H,2,4-7H2,1H3/t10-/m1/s1
InChIKeyVLVLKPADGVCVOF-SNVBAGLBSA-N
XLogP0.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 138579720) is (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CCc1cnn2c1OC[C@H](N1CC(F)C1)C2.
What is the InChIKey of (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is VLVLKPADGVCVOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-8-3-13-15-6-10(7-16-11(8)15)14-4-9(12)5-14/h3,9-10H,2,4-7H2,1H3/t10-/m1/s1.
What are the key properties of (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 225.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 138579720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).