4-bromo-N-methyl-2,1-benzoxazol-3-amine

C8H7BrN2O — CID 83803903

IUPAC4-bromo-N-methyl-2,1-benzoxazol-3-amine
SMILESCNc1onc2cccc(Br)c12
InChIInChI=1S/C8H7BrN2O/c1-10-8-7-5(9)3-2-4-6(7)11-12-8/h2-4,10H,1H3
InChIKeyWBBORYKZUVTOTO-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.63
Rot. Bonds1

About 4-bromo-N-methyl-2,1-benzoxazol-3-amine

4-bromo-N-methyl-2,1-benzoxazol-3-amine (PubChem CID 83803903) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 4-bromo-N-methyl-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-2,1-benzoxazol-3-amine
PubChem CID83803903
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name4-bromo-N-methyl-2,1-benzoxazol-3-amine
SMILESCNc1onc2cccc(Br)c12
InChIInChI=1S/C8H7BrN2O/c1-10-8-7-5(9)3-2-4-6(7)11-12-8/h2-4,10H,1H3
InChIKeyWBBORYKZUVTOTO-UHFFFAOYSA-N
XLogP2.63
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-2,1-benzoxazole
CID 105465683
4-bromo-N,1-dimethylindazol-3-amine
CID 84701824
7-bromo-2-chloro-1,3-benzothiazole;7-bromo-N-methyl-1,3-benzothiazol-2-amine
CID 157181305
5-bromo-2-methylquinazolin-4-amine
CID 133060351
5-bromo-4-chloro-2,1-benzoxazol-3-amine
CID 146278303
4-methoxy-3-methyl-2,1-benzoxazole
CID 119091546
4-ethoxy-2,1-benzoxazol-3-amine
CID 146278299
2-(7-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 81496027
6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine
CID 178167058
5-bromoquinolin-4-amine
CID 71742979
2-bromo-6-fluoro-N-methylaniline
CID 21161540
1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194801

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2,1-benzoxazol-3-amine?
The IUPAC name of 4-bromo-N-methyl-2,1-benzoxazol-3-amine (CID 83803903) is 4-bromo-N-methyl-2,1-benzoxazol-3-amine.
What is the SMILES notation for 4-bromo-N-methyl-2,1-benzoxazol-3-amine?
The canonical SMILES for 4-bromo-N-methyl-2,1-benzoxazol-3-amine is CNc1onc2cccc(Br)c12.
What is the InChIKey of 4-bromo-N-methyl-2,1-benzoxazol-3-amine?
The InChIKey is WBBORYKZUVTOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-10-8-7-5(9)3-2-4-6(7)11-12-8/h2-4,10H,1H3.
What are the key properties of 4-bromo-N-methyl-2,1-benzoxazol-3-amine?
4-bromo-N-methyl-2,1-benzoxazol-3-amine has a molecular weight of 227.06 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-2,1-benzoxazol-3-amine is sourced from PubChem (CID 83803903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).