3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C10H15FN2O — CID 146611004

IUPAC3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)(C)c1cnn2c1OCC(F)C2
InChIInChI=1S/C10H15FN2O/c1-10(2,3)8-4-12-13-5-7(11)6-14-9(8)13/h4,7H,5-6H2,1-3H3
InChIKeyLUIXCJPQXXFYNN-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.91
Rot. Bonds

About 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 146611004) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID146611004
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC(C)(C)c1cnn2c1OCC(F)C2
InChIInChI=1S/C10H15FN2O/c1-10(2,3)8-4-12-13-5-7(11)6-14-9(8)13/h4,7H,5-6H2,1-3H3
InChIKeyLUIXCJPQXXFYNN-UHFFFAOYSA-N
XLogP1.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 146611004) is 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC(C)(C)c1cnn2c1OCC(F)C2.
What is the InChIKey of 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is LUIXCJPQXXFYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-10(2,3)8-4-12-13-5-7(11)6-14-9(8)13/h4,7H,5-6H2,1-3H3.
What are the key properties of 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 198.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 146611004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).