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

C7H5BrN2O — CID 10608621

IUPAC6-bromo-1,2-benzoxazol-3-amine
SMILESNc1noc2cc(Br)ccc12
InChIInChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKeyCNLHHYURQCSYLB-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.17
Rot. Bonds

About 6-bromo-1,2-benzoxazol-3-amine

6-bromo-1,2-benzoxazol-3-amine (PubChem CID 10608621) has the molecular formula C7H5BrN2O and a molecular weight of 213.03 g/mol. Its IUPAC name is 6-bromo-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-bromo-1,2-benzoxazol-3-amine
PubChem CID10608621
Molecular FormulaC7H5BrN2O
Molecular Weight213.03 g/mol
Exact Mass211.96
IUPAC Name6-bromo-1,2-benzoxazol-3-amine
SMILESNc1noc2cc(Br)ccc12
InChIInChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10)
InChIKeyCNLHHYURQCSYLB-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

1,2-Benzoxazol-3-amine
CID 2779749
4-Bromo-1,2-benzoxazol-3-amine
CID 45588471
5-Bromo-1,2-benzoxazole
CID 12003029
4-Bromo-5-phenyl-1,2-oxazol-3-amine
CID 12371364
1,2-Benzisoxazole, 3-(bromomethyl)-
CID 3499189
5-Bromo-3-methyl-1,2-benzoxazole
CID 12411330
4-Iodo-1,2-benzoxazol-3-amine
CID 24808326
5-(Trifluoromethyl)-1,2-benzoxazol-3-amine
CID 43811099
6-(Trifluoromethyl)-1,2-benzoxazol-3-amine
CID 10608155
7-Trifluoromethyl-benzo[d]isoxazol-3-ylamine
CID 10774456
6-Bromo-3-methyl-1,2-benzoxazole
CID 12411322
5-(4-Bromophenyl)isoxazol-3-amine
CID 16218187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2-benzoxazol-3-amine?
The IUPAC name of 6-bromo-1,2-benzoxazol-3-amine (CID 10608621) is 6-bromo-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-bromo-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-bromo-1,2-benzoxazol-3-amine is Nc1noc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1,2-benzoxazol-3-amine?
The InChIKey is CNLHHYURQCSYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H,(H2,9,10).
What are the key properties of 6-bromo-1,2-benzoxazol-3-amine?
6-bromo-1,2-benzoxazol-3-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 6-bromo-1,2-benzoxazol-3-amine is sourced from PubChem (CID 10608621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).