2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

C15H10BrFN2O2 — CID 59272338

IUPAC2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1cc(Br)ccc1Oc1c(F)cccc12
InChIInChI=1S/C15H10BrFN2O2/c16-8-4-5-12-10(6-8)15(7-20-14(18)19-15)9-2-1-3-11(17)13(9)21-12/h1-6H,7H2,(H2,18,19)
InChIKeyNHMOEEZEMAHZJI-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.28
Rot. Bonds

About 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (PubChem CID 59272338) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
PubChem CID59272338
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
SMILESNC1=NC2(CO1)c1cc(Br)ccc1Oc1c(F)cccc12
InChIInChI=1S/C15H10BrFN2O2/c16-8-4-5-12-10(6-8)15(7-20-14(18)19-15)9-2-1-3-11(17)13(9)21-12/h1-6H,7H2,(H2,18,19)
InChIKeyNHMOEEZEMAHZJI-UHFFFAOYSA-N
XLogP3.28
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine 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 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The IUPAC name of 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine (CID 59272338) is 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is NC1=NC2(CO1)c1cc(Br)ccc1Oc1c(F)cccc12.
What is the InChIKey of 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
The InChIKey is NHMOEEZEMAHZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-8-4-5-12-10(6-8)15(7-20-14(18)19-15)9-2-1-3-11(17)13(9)21-12/h1-6H,7H2,(H2,18,19).
What are the key properties of 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine?
2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine has a molecular weight of 349.16 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-5'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 59272338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).