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

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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).