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

C13H14BrFN2O — CID 106370032

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2cc(Br)ccc2F)o1
InChIInChI=1S/C13H14BrFN2O/c1-8-6-17-13(18-8)7-16-9(2)11-5-10(14)3-4-12(11)15/h3-6,9,16H,7H2,1-2H3
InChIKeyPUQFCGUIAKQROH-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.74
Rot. Bonds4

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

1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 106370032) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID106370032
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1cnc(CNC(C)c2cc(Br)ccc2F)o1
InChIInChI=1S/C13H14BrFN2O/c1-8-6-17-13(18-8)7-16-9(2)11-5-10(14)3-4-12(11)15/h3-6,9,16H,7H2,1-2H3
InChIKeyPUQFCGUIAKQROH-UHFFFAOYSA-N
XLogP3.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113350594
1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
1-(2,4-dibromophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106368846
1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913115
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 114180016
5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
CID 106370137
1-(5-bromo-2-fluorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 112668618
3-[1-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963033

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 106370032) is 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1cnc(CNC(C)c2cc(Br)ccc2F)o1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is PUQFCGUIAKQROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-8-6-17-13(18-8)7-16-9(2)11-5-10(14)3-4-12(11)15/h3-6,9,16H,7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 313.17 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106370032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).