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

C11H13N3O — CID 12551359

IUPAC2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESNCCc1noc(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3O/c12-7-6-10-13-11(15-14-10)8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKeyMNCJPWFLYHNYJC-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.16
Rot. Bonds4

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

2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 12551359) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID12551359
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESNCCc1noc(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3O/c12-7-6-10-13-11(15-14-10)8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKeyMNCJPWFLYHNYJC-UHFFFAOYSA-N
XLogP1.16
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 12551359) is 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine is NCCc1noc(Cc2ccccc2)n1.
What is the InChIKey of 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is MNCJPWFLYHNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-6-10-13-11(15-14-10)8-9-4-2-1-3-5-9/h1-5H,6-8,12H2.
What are the key properties of 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine?
2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 203.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 12551359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).