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

C10H9BrN2O — CID 83548488

IUPAC4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(Br)cc1-c1cnoc1N
InChIInChI=1S/C10H9BrN2O/c1-6-2-3-7(11)4-8(6)9-5-13-14-10(9)12/h2-5H,12H2,1H3
InChIKeyOANUITBKKPNNNH-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.99
Rot. Bonds1

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

4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 83548488) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID83548488
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(Br)cc1-c1cnoc1N
InChIInChI=1S/C10H9BrN2O/c1-6-2-3-7(11)4-8(6)9-5-13-14-10(9)12/h2-5H,12H2,1H3
InChIKeyOANUITBKKPNNNH-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-(5-bromo-2-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

2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
CID 117294489
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
3-(5-amino-1,2-oxazol-4-yl)-2,6-dimethylphenol
CID 117292468
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876
4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
CID 117325905
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502
1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol
CID 117490329
4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496003
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)-1,2-oxazol-5-amine
CID 117433533

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine (CID 83548488) is 4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(Br)cc1-c1cnoc1N.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is OANUITBKKPNNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-2-3-7(11)4-8(6)9-5-13-14-10(9)12/h2-5H,12H2,1H3.
What are the key properties of 4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine?
4-(5-bromo-2-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-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 83548488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).