N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C13H15BrN2O — CID 81117236

IUPACN-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2cc(C)ccc2Br)n1
InChIInChI=1S/C13H15BrN2O/c1-3-15-7-10-8-17-13(16-10)11-6-9(2)4-5-12(11)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyYLWGKKQHPRJGLJ-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.52
Rot. Bonds4

About N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 81117236) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID81117236
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(-c2cc(C)ccc2Br)n1
InChIInChI=1S/C13H15BrN2O/c1-3-15-7-10-8-17-13(16-10)11-6-9(2)4-5-12(11)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyYLWGKKQHPRJGLJ-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 81117236) is N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1coc(-c2cc(C)ccc2Br)n1.
What is the InChIKey of N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is YLWGKKQHPRJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-15-7-10-8-17-13(16-10)11-6-9(2)4-5-12(11)14/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 295.18 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 81117236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).