2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol

C10H16N2O2 — CID 138579608

IUPAC2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol
SMILESCC(C)(C)c1cc2n(n1)CC(O)CO2
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8-4-9-12(11-8)5-7(13)6-14-9/h4,7,13H,5-6H2,1-3H3
InChIKeyGIJFHIYFQYWMCZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.93
Rot. Bonds

About 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol

2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol (PubChem CID 138579608) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol.

Molecular Properties

Compound Name2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol
PubChem CID138579608
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol
SMILESCC(C)(C)c1cc2n(n1)CC(O)CO2
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8-4-9-12(11-8)5-7(13)6-14-9/h4,7,13H,5-6H2,1-3H3
InChIKeyGIJFHIYFQYWMCZ-UHFFFAOYSA-N
XLogP0.93
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol?
The IUPAC name of 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol (CID 138579608) is 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol.
What is the SMILES notation for 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol?
The canonical SMILES for 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol is CC(C)(C)c1cc2n(n1)CC(O)CO2.
What is the InChIKey of 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol?
The InChIKey is GIJFHIYFQYWMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)8-4-9-12(11-8)5-7(13)6-14-9/h4,7,13H,5-6H2,1-3H3.
What are the key properties of 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol?
2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol has a molecular weight of 196.25 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol is sourced from PubChem (CID 138579608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).