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

C15H19N3O2 — CID 116743716

IUPAC1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(c1ccccc1)c1noc(C(C)(N)C2CC2)n1
InChIInChI=1S/C15H19N3O2/c1-15(16,11-8-9-11)14-17-13(18-20-14)12(19-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9,16H2,1-2H3
InChIKeyWGPNSYMNQWEXEM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.39
Rot. Bonds5

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

1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 116743716) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID116743716
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOC(c1ccccc1)c1noc(C(C)(N)C2CC2)n1
InChIInChI=1S/C15H19N3O2/c1-15(16,11-8-9-11)14-17-13(18-20-14)12(19-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9,16H2,1-2H3
InChIKeyWGPNSYMNQWEXEM-UHFFFAOYSA-N
XLogP2.39
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 116743716) is 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is COC(c1ccccc1)c1noc(C(C)(N)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is WGPNSYMNQWEXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(16,11-8-9-11)14-17-13(18-20-14)12(19-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9,16H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 116743716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).