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

C12H15N3O2 — CID 62098753

IUPAC1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOC(c1ccccc1)c1nc(C(C)N)no1
InChIInChI=1S/C12H15N3O2/c1-8(13)11-14-12(17-15-11)10(16-2)9-6-4-3-5-7-9/h3-8,10H,13H2,1-2H3
InChIKeyHXCIEDQNLHOEED-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.83
Rot. Bonds4

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

1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 62098753) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID62098753
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOC(c1ccccc1)c1nc(C(C)N)no1
InChIInChI=1S/C12H15N3O2/c1-8(13)11-14-12(17-15-11)10(16-2)9-6-4-3-5-7-9/h3-8,10H,13H2,1-2H3
InChIKeyHXCIEDQNLHOEED-UHFFFAOYSA-N
XLogP1.83
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116743797
3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116743749
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
(1S)-1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103822421
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 116733106
3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837364
N-[1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116781498
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780931
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547

Frequently Asked Questions

What is the IUPAC name of 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 62098753) is 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is COC(c1ccccc1)c1nc(C(C)N)no1.
What is the InChIKey of 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is HXCIEDQNLHOEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(13)11-14-12(17-15-11)10(16-2)9-6-4-3-5-7-9/h3-8,10H,13H2,1-2H3.
What are the key properties of 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 62098753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).