2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine

C11H12BrN3O — CID 61335873

IUPAC2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN3O/c12-9-3-1-8(2-4-9)7-11-14-10(5-6-13)15-16-11/h1-4H,5-7,13H2
InChIKeyMWDQTFFQZYEYCN-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.92
Rot. Bonds4

About 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61335873) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61335873
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN3O/c12-9-3-1-8(2-4-9)7-11-14-10(5-6-13)15-16-11/h1-4H,5-7,13H2
InChIKeyMWDQTFFQZYEYCN-UHFFFAOYSA-N
XLogP1.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 61335873) is 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is MWDQTFFQZYEYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-9-3-1-8(2-4-9)7-11-14-10(5-6-13)15-16-11/h1-4H,5-7,13H2.
What are the key properties of 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 282.14 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61335873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).