5-Bromo-1,3-benzoxazol-2-amine

C7H5BrN2O — CID 46380

IUPAC5-bromo-1,3-benzoxazol-2-amine
SMILESC1=CC2=C(C=C1Br)N=C(O2)N
InChIInChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKeyHMRSJGDFTOUVBW-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.50
Rot. Bonds

About 5-Bromo-1,3-benzoxazol-2-amine

5-Bromo-1,3-benzoxazol-2-amine (PubChem CID 46380) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 5-bromo-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-Bromo-1,3-benzoxazol-2-amine
PubChem CID46380
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name5-bromo-1,3-benzoxazol-2-amine
SMILESC1=CC2=C(C=C1Br)N=C(O2)N
InChIInChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKeyHMRSJGDFTOUVBW-UHFFFAOYSA-N
XLogP2.50
TPSA52.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity155

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-Bromo-1,3-benzoxazol-2-amine?
The IUPAC name of 5-Bromo-1,3-benzoxazol-2-amine (CID 46380) is 5-bromo-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-Bromo-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-Bromo-1,3-benzoxazol-2-amine is C1=CC2=C(C=C1Br)N=C(O2)N.
What is the InChIKey of 5-Bromo-1,3-benzoxazol-2-amine?
The InChIKey is HMRSJGDFTOUVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10).
What are the key properties of 5-Bromo-1,3-benzoxazol-2-amine?
5-Bromo-1,3-benzoxazol-2-amine has a molecular weight of 213.03 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Bromo-1,3-benzoxazol-2-amine is sourced from PubChem (CID 46380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).