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

C10H9BrN2O — CID 117385048

IUPAC4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2cnoc2N)cc1Br
InChIInChI=1S/C10H9BrN2O/c1-6-2-3-7(4-9(6)11)8-5-13-14-10(8)12/h2-5H,12H2,1H3
InChIKeySXGGDJYMTDJSBK-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.99
Rot. Bonds1

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

4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117385048) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117385048
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2cnoc2N)cc1Br
InChIInChI=1S/C10H9BrN2O/c1-6-2-3-7(4-9(6)11)8-5-13-14-10(8)12/h2-5H,12H2,1H3
InChIKeySXGGDJYMTDJSBK-UHFFFAOYSA-N
XLogP2.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305301
4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305300
4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117490337
3-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 81460037
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
CID 155718046
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055
4-(1,2,3-trimethylindol-6-yl)-1,2-oxazol-5-amine
CID 117355368
4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458759
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine (CID 117385048) is 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2cnoc2N)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is SXGGDJYMTDJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-2-3-7(4-9(6)11)8-5-13-14-10(8)12/h2-5H,12H2,1H3.
What are the key properties of 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine?
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 253.10 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117385048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).