5-bromo-4-chloro-2,1-benzoxazol-3-amine

C7H4BrClN2O — CID 146278303

IUPAC5-bromo-4-chloro-2,1-benzoxazol-3-amine
SMILESNc1onc2ccc(Br)c(Cl)c12
InChIInChI=1S/C7H4BrClN2O/c8-3-1-2-4-5(6(3)9)7(10)12-11-4/h1-2H,10H2
InChIKeySUEOPJBENULVCN-UHFFFAOYSA-N
MW247.48 g/mol
LogP2.83
Rot. Bonds

About 5-bromo-4-chloro-2,1-benzoxazol-3-amine

5-bromo-4-chloro-2,1-benzoxazol-3-amine (PubChem CID 146278303) has the molecular formula C7H4BrClN2O and a molecular weight of 247.48 g/mol. Its IUPAC name is 5-bromo-4-chloro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-2,1-benzoxazol-3-amine
PubChem CID146278303
Molecular FormulaC7H4BrClN2O
Molecular Weight247.48 g/mol
Exact Mass245.92
IUPAC Name5-bromo-4-chloro-2,1-benzoxazol-3-amine
SMILESNc1onc2ccc(Br)c(Cl)c12
InChIInChI=1S/C7H4BrClN2O/c8-3-1-2-4-5(6(3)9)7(10)12-11-4/h1-2H,10H2
InChIKeySUEOPJBENULVCN-UHFFFAOYSA-N
XLogP2.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2,1-benzoxazol-3-amine?
The IUPAC name of 5-bromo-4-chloro-2,1-benzoxazol-3-amine (CID 146278303) is 5-bromo-4-chloro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 5-bromo-4-chloro-2,1-benzoxazol-3-amine?
The canonical SMILES for 5-bromo-4-chloro-2,1-benzoxazol-3-amine is Nc1onc2ccc(Br)c(Cl)c12.
What is the InChIKey of 5-bromo-4-chloro-2,1-benzoxazol-3-amine?
The InChIKey is SUEOPJBENULVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2O/c8-3-1-2-4-5(6(3)9)7(10)12-11-4/h1-2H,10H2.
What are the key properties of 5-bromo-4-chloro-2,1-benzoxazol-3-amine?
5-bromo-4-chloro-2,1-benzoxazol-3-amine has a molecular weight of 247.48 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 146278303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).