5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine

C11H9BrN4O — CID 103511061

IUPAC5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine
SMILESCn1cncc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C11H9BrN4O/c1-16-5-14-4-9(16)11-15-8-3-6(12)2-7(13)10(8)17-11/h2-5H,13H2,1H3
InChIKeyJVMXPIWHAYBBCR-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.57
Rot. Bonds1

About 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine

5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine (PubChem CID 103511061) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine
PubChem CID103511061
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine
SMILESCn1cncc1-c1nc2cc(Br)cc(N)c2o1
InChIInChI=1S/C11H9BrN4O/c1-16-5-14-4-9(16)11-15-8-3-6(12)2-7(13)10(8)17-11/h2-5H,13H2,1H3
InChIKeyJVMXPIWHAYBBCR-UHFFFAOYSA-N
XLogP2.57
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(5-ethylfuran-2-yl)-1,3-benzoxazol-7-amine
CID 104728960
5-bromo-2-(5-bromo-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728890
5-bromo-2-(2,4,5-trimethylfuran-3-yl)-1,3-benzoxazol-7-amine
CID 104728797
5-bromo-2-(4-tert-butylphenyl)-1,3-benzoxazol-7-amine
CID 104728796
5-bromo-2-(2,4,6-trifluorophenyl)-1,3-benzoxazol-7-amine
CID 104728988
5-bromo-2-(3-bromo-5-chlorophenyl)-1,3-benzoxazol-7-amine
CID 107939138
5-bromo-2-(3-fluoro-5-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728991
5-bromo-2-(2-bromo-3-methylphenyl)-1,3-benzoxazol-7-amine
CID 107982320
5-bromo-2-(3-methylphenyl)-1,3-benzoxazol-7-amine
CID 82095595
5-bromo-2-(2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728767
5-bromo-2-(4-fluoro-2-methylphenyl)-1,3-benzoxazol-7-amine
CID 104728936
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-benzoxazol-7-amine
CID 104728788

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine?
The IUPAC name of 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine (CID 103511061) is 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine.
What is the SMILES notation for 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine?
The canonical SMILES for 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine is Cn1cncc1-c1nc2cc(Br)cc(N)c2o1.
What is the InChIKey of 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine?
The InChIKey is JVMXPIWHAYBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O/c1-16-5-14-4-9(16)11-15-8-3-6(12)2-7(13)10(8)17-11/h2-5H,13H2,1H3.
What are the key properties of 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine?
5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine has a molecular weight of 293.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylimidazol-4-yl)-1,3-benzoxazol-7-amine is sourced from PubChem (CID 103511061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).