1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine

C13H15BrN2O — CID 107984133

IUPAC1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2cccc(C)c2Br)o1
InChIInChI=1S/C13H15BrN2O/c1-8-5-4-6-10(12(8)14)11-7-16-13(17-11)9(2)15-3/h4-7,9,15H,1-3H3
InChIKeyPVSQREKWONYFSL-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.69
Rot. Bonds3

About 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 107984133) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID107984133
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2cccc(C)c2Br)o1
InChIInChI=1S/C13H15BrN2O/c1-8-5-4-6-10(12(8)14)11-7-16-13(17-11)9(2)15-3/h4-7,9,15H,1-3H3
InChIKeyPVSQREKWONYFSL-UHFFFAOYSA-N
XLogP3.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine 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

1-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65309801
1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 114561189
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
5-(2-bromo-3-methylphenyl)-2-(chloromethyl)-1,3-oxazole
CID 107984119
N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107984140
1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65432346
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65181487
N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181435
N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181758
N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181579
N-ethyl-1-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181348
1-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026384

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 107984133) is 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(-c2cccc(C)c2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is PVSQREKWONYFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-5-4-6-10(12(8)14)11-7-16-13(17-11)9(2)15-3/h4-7,9,15H,1-3H3.
What are the key properties of 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 295.18 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 107984133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).