4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine

C12H9BrN4O — CID 117490337

IUPAC4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(-n2ccnc2)c(Br)c1
InChIInChI=1S/C12H9BrN4O/c13-10-5-8(9-6-16-18-12(9)14)1-2-11(10)17-4-3-15-7-17/h1-7H,14H2
InChIKeyVORDKNGRIISOOX-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.87
Rot. Bonds2

About 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine

4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117490337) has the molecular formula C12H9BrN4O and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117490337
Molecular FormulaC12H9BrN4O
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(-n2ccnc2)c(Br)c1
InChIInChI=1S/C12H9BrN4O/c13-10-5-8(9-6-16-18-12(9)14)1-2-11(10)17-4-3-15-7-17/h1-7H,14H2
InChIKeyVORDKNGRIISOOX-UHFFFAOYSA-N
XLogP2.87
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117325152
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
4-bromo-3-imidazol-1-ylpyridine
CID 84688960
3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 82799187
4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117490335
1-(2-bromo-4-nitrophenyl)imidazole
CID 1475101
3,4-di(imidazol-1-yl)aniline
CID 129289428
[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine
CID 117471743
5-[(3-bromo-4-imidazol-1-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168597907
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
3-(3-bromo-4-imidazol-1-ylphenyl)butan-1-amine
CID 117474556

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine (CID 117490337) is 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1ccc(-n2ccnc2)c(Br)c1.
What is the InChIKey of 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is VORDKNGRIISOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c13-10-5-8(9-6-16-18-12(9)14)1-2-11(10)17-4-3-15-7-17/h1-7H,14H2.
What are the key properties of 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine?
4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 305.13 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117490337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).