7-bromo-1,3-benzoxazol-2-amine

C7H5BrN2O — CID 71627060

IUPAC7-bromo-1,3-benzoxazol-2-amine
SMILESNc1nc2cccc(Br)c2o1
InChIInChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyQVSLAPQMRBWVBL-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.17
Rot. Bonds

About 7-bromo-1,3-benzoxazol-2-amine

7-bromo-1,3-benzoxazol-2-amine (PubChem CID 71627060) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 7-bromo-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-bromo-1,3-benzoxazol-2-amine
PubChem CID71627060
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name7-bromo-1,3-benzoxazol-2-amine
SMILESNc1nc2cccc(Br)c2o1
InChIInChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyQVSLAPQMRBWVBL-UHFFFAOYSA-N
XLogP2.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Zoxazolamine
CID 6103
5-Bromo-1,3-benzoxazol-2-amine
CID 46380
2-Aminobenzoxazole
CID 20707
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
Benzoxazole, 2-amino-5-fluoro-
CID 15516
Benzoxazole, 2-amino-6-chloro-
CID 40237
N-methyl-1,3-benzoxazol-2-amine
CID 590605
N-(2-fluorophenyl)-1,3-benzoxazol-2-amine
CID 1505210
N-Benzooxazol-2-yl-N'-propionyl-guanidine
CID 15997479
Benzoxazole, 2-amino-6-bromo-
CID 40235
6-Bromo-5-chloro-2-benzoxazolamine
CID 46381

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,3-benzoxazol-2-amine?
The IUPAC name of 7-bromo-1,3-benzoxazol-2-amine (CID 71627060) is 7-bromo-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-bromo-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-bromo-1,3-benzoxazol-2-amine is Nc1nc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-1,3-benzoxazol-2-amine?
The InChIKey is QVSLAPQMRBWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10).
What are the key properties of 7-bromo-1,3-benzoxazol-2-amine?
7-bromo-1,3-benzoxazol-2-amine has a molecular weight of 213.03 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,3-benzoxazol-2-amine is sourced from PubChem (CID 71627060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).