4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine

C13H7Br2FN2O — CID 1415370

IUPAC4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine
SMILESNc1c(Br)cc2oc(-c3ccccc3F)nc2c1Br
InChIInChI=1S/C13H7Br2FN2O/c14-7-5-9-12(10(15)11(7)17)18-13(19-9)6-3-1-2-4-8(6)16/h1-5H,17H2
InChIKeyCYHWYNYSVIMTFV-UHFFFAOYSA-N
MW386.02 g/mol
LogP4.74
Rot. Bonds1

About 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine

4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine (PubChem CID 1415370) has the molecular formula C13H7Br2FN2O and a molecular weight of 386.02 g/mol. Its IUPAC name is 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine
PubChem CID1415370
Molecular FormulaC13H7Br2FN2O
Molecular Weight386.02 g/mol
Exact Mass383.89
IUPAC Name4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine
SMILESNc1c(Br)cc2oc(-c3ccccc3F)nc2c1Br
InChIInChI=1S/C13H7Br2FN2O/c14-7-5-9-12(10(15)11(7)17)18-13(19-9)6-3-1-2-4-8(6)16/h1-5H,17H2
InChIKeyCYHWYNYSVIMTFV-UHFFFAOYSA-N
XLogP4.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.02
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine (CID 1415370) is 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine is Nc1c(Br)cc2oc(-c3ccccc3F)nc2c1Br.
What is the InChIKey of 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine?
The InChIKey is CYHWYNYSVIMTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FN2O/c14-7-5-9-12(10(15)11(7)17)18-13(19-9)6-3-1-2-4-8(6)16/h1-5H,17H2.
What are the key properties of 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine?
4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine has a molecular weight of 386.02 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(2-fluorophenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 1415370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).