2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C11H10F3N3O2 — CID 104633749

IUPAC2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCC(N)c1noc(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C11H10F3N3O2/c1-18-4-8(15)10-16-11(19-17-10)9-6(13)2-5(12)3-7(9)14/h2-3,8H,4,15H2,1H3
InChIKeyBGFHLJYYMBKILU-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.80
Rot. Bonds4

About 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104633749) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104633749
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCC(N)c1noc(-c2c(F)cc(F)cc2F)n1
InChIInChI=1S/C11H10F3N3O2/c1-18-4-8(15)10-16-11(19-17-10)9-6(13)2-5(12)3-7(9)14/h2-3,8H,4,15H2,1H3
InChIKeyBGFHLJYYMBKILU-UHFFFAOYSA-N
XLogP1.80
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104633749) is 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is COCC(N)c1noc(-c2c(F)cc(F)cc2F)n1.
What is the InChIKey of 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is BGFHLJYYMBKILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-18-4-8(15)10-16-11(19-17-10)9-6(13)2-5(12)3-7(9)14/h2-3,8H,4,15H2,1H3.
What are the key properties of 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 273.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104633749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).