2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one

C10H6BrFN2O2 — CID 54266632

IUPAC2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one
SMILESNc1nc(=O)c(Br)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C10H6BrFN2O2/c11-7-8(16-10(13)14-9(7)15)5-1-3-6(12)4-2-5/h1-4H,(H2,13,14,15)
InChIKeyRHFALCKTMLBFJD-UHFFFAOYSA-N
MW285.07 g/mol
LogP2.19
Rot. Bonds1

About 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one

2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one (PubChem CID 54266632) has the molecular formula C10H6BrFN2O2 and a molecular weight of 285.07 g/mol. Its IUPAC name is 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one
PubChem CID54266632
Molecular FormulaC10H6BrFN2O2
Molecular Weight285.07 g/mol
Exact Mass283.96
IUPAC Name2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one
SMILESNc1nc(=O)c(Br)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C10H6BrFN2O2/c11-7-8(16-10(13)14-9(7)15)5-1-3-6(12)4-2-5/h1-4H,(H2,13,14,15)
InChIKeyRHFALCKTMLBFJD-UHFFFAOYSA-N
XLogP2.19
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one?
The IUPAC name of 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one (CID 54266632) is 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one.
What is the SMILES notation for 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one?
The canonical SMILES for 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one is Nc1nc(=O)c(Br)c(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one?
The InChIKey is RHFALCKTMLBFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2/c11-7-8(16-10(13)14-9(7)15)5-1-3-6(12)4-2-5/h1-4H,(H2,13,14,15).
What are the key properties of 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one?
2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one has a molecular weight of 285.07 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-6-(4-fluorophenyl)-1,3-oxazin-4-one is sourced from PubChem (CID 54266632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).