1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine

C12H12BrFN2O — CID 114561189

IUPAC1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2c(F)cccc2Br)o1
InChIInChI=1S/C12H12BrFN2O/c1-7(15-2)12-16-6-10(17-12)11-8(13)4-3-5-9(11)14/h3-7,15H,1-2H3
InChIKeyNCHCNSFJKXGHKD-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.52
Rot. Bonds3

About 1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 114561189) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID114561189
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2c(F)cccc2Br)o1
InChIInChI=1S/C12H12BrFN2O/c1-7(15-2)12-16-6-10(17-12)11-8(13)4-3-5-9(11)14/h3-7,15H,1-2H3
InChIKeyNCHCNSFJKXGHKD-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.52
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-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 114561189) is 1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(-c2c(F)cccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is NCHCNSFJKXGHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-7(15-2)12-16-6-10(17-12)11-8(13)4-3-5-9(11)14/h3-7,15H,1-2H3.
What are the key properties of 1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 299.14 g/mol, XLogP of 3.52, 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-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 114561189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).