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

C10H9BrFN3O — CID 62071467

IUPAC2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C10H9BrFN3O/c11-7-2-1-6(5-8(7)12)10-15-14-9(16-10)3-4-13/h1-2,5H,3-4,13H2
InChIKeyDKWDOHVDUSOMFW-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.14
Rot. Bonds3

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

2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62071467) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62071467
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESNCCc1nnc(-c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C10H9BrFN3O/c11-7-2-1-6(5-8(7)12)10-15-14-9(16-10)3-4-13/h1-2,5H,3-4,13H2
InChIKeyDKWDOHVDUSOMFW-UHFFFAOYSA-N
XLogP2.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine
CID 356897
2-(3-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
CID 96737
2-(4-Bromophenyl)-1,3,4-oxadiazole
CID 715120
2-(4-Bromophenyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 646295
2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole
CID 26966989
2-(2-Bromophenyl)-5-(4-bromophenyl)-1,3,4-oxadiazole
CID 1354923
2-(3-Bromophenyl)-5-(4-bromophenyl)-1,3,4-oxadiazole
CID 1909981
2-Benzyl-5-(4-bromophenyl)-1,3,4-oxadiazole
CID 677885
2-(4-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
CID 88931
2,5-Bis(4-bromophenyl)-1,3,4-oxadiazole
CID 259754
2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole
CID 26967004
2-(2-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
CID 96791

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62071467) is 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine is NCCc1nnc(-c2ccc(Br)c(F)c2)o1.
What is the InChIKey of 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is DKWDOHVDUSOMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c11-7-2-1-6(5-8(7)12)10-15-14-9(16-10)3-4-13/h1-2,5H,3-4,13H2.
What are the key properties of 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 286.10 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62071467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).