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

C11H11BrN2O — CID 79555953

IUPAC4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C)cc(-c2onc(N)c2Br)c1
InChIInChI=1S/C11H11BrN2O/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyQZLYPHDFUXHLSR-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.30
Rot. Bonds1

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

4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine (PubChem CID 79555953) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
PubChem CID79555953
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C)cc(-c2onc(N)c2Br)c1
InChIInChI=1S/C11H11BrN2O/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyQZLYPHDFUXHLSR-UHFFFAOYSA-N
XLogP3.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine (CID 79555953) is 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine is Cc1cc(C)cc(-c2onc(N)c2Br)c1.
What is the InChIKey of 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The InChIKey is QZLYPHDFUXHLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)14-15-10/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine has a molecular weight of 267.13 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79555953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).