1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H9BrFN3O — CID 61325188

IUPAC1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C10H9BrFN3O/c1-5(13)9-14-10(16-15-9)7-4-6(11)2-3-8(7)12/h2-5H,13H2,1H3
InChIKeyNUNUIAKFVXYSEE-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.66
Rot. Bonds2

About 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61325188) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61325188
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C10H9BrFN3O/c1-5(13)9-14-10(16-15-9)7-4-6(11)2-3-8(7)12/h2-5H,13H2,1H3
InChIKeyNUNUIAKFVXYSEE-UHFFFAOYSA-N
XLogP2.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61325188) is 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is NUNUIAKFVXYSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c1-5(13)9-14-10(16-15-9)7-4-6(11)2-3-8(7)12/h2-5H,13H2,1H3.
What are the key properties of 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 286.10 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61325188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).