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

C11H13N3O — CID 61326226

IUPAC1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(N)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3O/c1-8(12)11-13-10(15-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKeyCHEZCXNPSVEFKN-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.68
Rot. Bonds3

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

1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 61326226) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID61326226
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCC(N)c1noc(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3O/c1-8(12)11-13-10(15-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKeyCHEZCXNPSVEFKN-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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Related Compounds

1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323629
1-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115004592
(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-2-propoxyethanamine
CID 104634245
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
1-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115004180
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanamine
CID 138043202
(1R)-N-[(1S)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 97323492
3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952323
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133461765
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 61326226) is 1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine is CC(N)c1noc(Cc2ccccc2)n1.
What is the InChIKey of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is CHEZCXNPSVEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(12)11-13-10(15-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3.
What are the key properties of 1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine?
1-(5-benzyl-1,2,4-oxadiazol-3-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-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 61326226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).