2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine

C6H4BrFN2O — CID 122174114

IUPAC2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine
SMILESFC1=COc2nc(Br)cn2C1
InChIInChI=1S/C6H4BrFN2O/c7-5-2-10-1-4(8)3-11-6(10)9-5/h2-3H,1H2
InChIKeyMSZWLRCUYGURHO-UHFFFAOYSA-N
MW219.01 g/mol
LogP1.85
Rot. Bonds

About 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine

2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 122174114) has the molecular formula C6H4BrFN2O and a molecular weight of 219.01 g/mol. Its IUPAC name is 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID122174114
Molecular FormulaC6H4BrFN2O
Molecular Weight219.01 g/mol
Exact Mass217.95
IUPAC Name2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine
SMILESFC1=COc2nc(Br)cn2C1
InChIInChI=1S/C6H4BrFN2O/c7-5-2-10-1-4(8)3-11-6(10)9-5/h2-3H,1H2
InChIKeyMSZWLRCUYGURHO-UHFFFAOYSA-N
XLogP1.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine (CID 122174114) is 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine is FC1=COc2nc(Br)cn2C1.
What is the InChIKey of 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is MSZWLRCUYGURHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O/c7-5-2-10-1-4(8)3-11-6(10)9-5/h2-3H,1H2.
What are the key properties of 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine?
2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 219.01 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 122174114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).