7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole

C12H11BrFN3O — CID 162760266

IUPAC7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
SMILESCC1(C)Cn2nc(-c3ccc(F)cn3)c(Br)c2O1
InChIInChI=1S/C12H11BrFN3O/c1-12(2)6-17-11(18-12)9(13)10(16-17)8-4-3-7(14)5-15-8/h3-5H,6H2,1-2H3
InChIKeyYXEUZTXZKBJGOE-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.02
Rot. Bonds1

About 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole

7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole (PubChem CID 162760266) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
PubChem CID162760266
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
SMILESCC1(C)Cn2nc(-c3ccc(F)cn3)c(Br)c2O1
InChIInChI=1S/C12H11BrFN3O/c1-12(2)6-17-11(18-12)9(13)10(16-17)8-4-3-7(14)5-15-8/h3-5H,6H2,1-2H3
InChIKeyYXEUZTXZKBJGOE-UHFFFAOYSA-N
XLogP3.02
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole (CID 162760266) is 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole is CC1(C)Cn2nc(-c3ccc(F)cn3)c(Br)c2O1.
What is the InChIKey of 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole?
The InChIKey is YXEUZTXZKBJGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-12(2)6-17-11(18-12)9(13)10(16-17)8-4-3-7(14)5-15-8/h3-5H,6H2,1-2H3.
What are the key properties of 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole?
7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole has a molecular weight of 312.14 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 162760266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).