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

C11H12BrN3O2 — CID 62069887

IUPAC2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCOc1ccc(Br)c(-c2nnc(CCN)o2)c1
InChIInChI=1S/C11H12BrN3O2/c1-16-7-2-3-9(12)8(6-7)11-15-14-10(17-11)4-5-13/h2-3,6H,4-5,13H2,1H3
InChIKeyZASIUOZNTAAPLG-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.01
Rot. Bonds4

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

2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62069887) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62069887
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCOc1ccc(Br)c(-c2nnc(CCN)o2)c1
InChIInChI=1S/C11H12BrN3O2/c1-16-7-2-3-9(12)8(6-7)11-15-14-10(17-11)4-5-13/h2-3,6H,4-5,13H2,1H3
InChIKeyZASIUOZNTAAPLG-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 114375433
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
2-(2-bromo-5-methoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 43513067
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
2-(3-chloropropyl)-5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 39382548
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071467
2-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069714
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 7713933
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
1-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138105

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62069887) is 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is COc1ccc(Br)c(-c2nnc(CCN)o2)c1.
What is the InChIKey of 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is ZASIUOZNTAAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-16-7-2-3-9(12)8(6-7)11-15-14-10(17-11)4-5-13/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 298.14 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62069887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).