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

C10H14FN3O — CID 146617428

IUPAC6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnn2c1OCC(N1CC(F)C1)C2
InChIInChI=1S/C10H14FN3O/c1-7-2-12-14-5-9(6-15-10(7)14)13-3-8(11)4-13/h2,8-9H,3-6H2,1H3
InChIKeyUDUNKMJGFIIVKA-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.61
Rot. Bonds1

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

6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 146617428) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID146617428
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnn2c1OCC(N1CC(F)C1)C2
InChIInChI=1S/C10H14FN3O/c1-7-2-12-14-5-9(6-15-10(7)14)13-3-8(11)4-13/h2,8-9H,3-6H2,1H3
InChIKeyUDUNKMJGFIIVKA-UHFFFAOYSA-N
XLogP0.61
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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Related Compounds

(6R)-3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 138579720
3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 141083368
6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 142561579
3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146612982
6-fluoro-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146618025
(6R)-6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 152893004
3-ethyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 153588507
(6R)-6-(3-fluoroazetidin-1-yl)-3-[[(6R)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]oxymethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 156508599
(6S)-3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
CID 165370107
(6R)-3-tert-butyl-6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166008168
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
CID 169713101
1-{6,6-difluoro-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-3-yl}methanamine
CID 125421479

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 146617428) is 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1cnn2c1OCC(N1CC(F)C1)C2.
What is the InChIKey of 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is UDUNKMJGFIIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7-2-12-14-5-9(6-15-10(7)14)13-3-8(11)4-13/h2,8-9H,3-6H2,1H3.
What are the key properties of 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 211.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroazetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 146617428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).