1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine

C11H13N3O — CID 43110394

IUPAC1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(N)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKeyTXLVGLOXMNZBCL-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.68
Rot. Bonds3

About 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine

1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 43110394) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID43110394
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(N)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKeyTXLVGLOXMNZBCL-UHFFFAOYSA-N
XLogP1.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 43110394) is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine is CC(N)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is TXLVGLOXMNZBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3.
What are the key properties of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine?
1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 203.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 43110394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).