6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C13H14FN3O — CID 162760681

IUPAC6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCCC1Cn2nc(-c3ccc(F)cn3)cc2CO1
InChIInChI=1S/C13H14FN3O/c1-2-11-7-17-10(8-18-11)5-13(16-17)12-4-3-9(14)6-15-12/h3-6,11H,2,7-8H2,1H3
InChIKeyUOHGRJUOJARXPK-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.39
Rot. Bonds2

About 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760681) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID162760681
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCCC1Cn2nc(-c3ccc(F)cn3)cc2CO1
InChIInChI=1S/C13H14FN3O/c1-2-11-7-17-10(8-18-11)5-13(16-17)12-4-3-9(14)6-15-12/h3-6,11H,2,7-8H2,1H3
InChIKeyUOHGRJUOJARXPK-UHFFFAOYSA-N
XLogP2.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 162760681) is 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is CCC1Cn2nc(-c3ccc(F)cn3)cc2CO1.
What is the InChIKey of 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is UOHGRJUOJARXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-11-7-17-10(8-18-11)5-13(16-17)12-4-3-9(14)6-15-12/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 247.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).