2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C16H19FN2O — CID 134571259

IUPAC2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCC(C)(C)c1cc2n(n1)CCOC2c1ccccc1F
InChIInChI=1S/C16H19FN2O/c1-16(2,3)14-10-13-15(20-9-8-19(13)18-14)11-6-4-5-7-12(11)17/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVYUFCRIRLMJYPD-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.44
Rot. Bonds1

About 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 134571259) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID134571259
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCC(C)(C)c1cc2n(n1)CCOC2c1ccccc1F
InChIInChI=1S/C16H19FN2O/c1-16(2,3)14-10-13-15(20-9-8-19(13)18-14)11-6-4-5-7-12(11)17/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVYUFCRIRLMJYPD-UHFFFAOYSA-N
XLogP3.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 134571259) is 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is CC(C)(C)c1cc2n(n1)CCOC2c1ccccc1F.
What is the InChIKey of 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is VYUFCRIRLMJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-16(2,3)14-10-13-15(20-9-8-19(13)18-14)11-6-4-5-7-12(11)17/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 274.34 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 134571259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).