2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C12H15N3O — CID 61334501

IUPAC2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1ccc(-c2nc(CCN)no2)c(C)c1
InChIInChI=1S/C12H15N3O/c1-8-3-4-10(9(2)7-8)12-14-11(5-6-13)15-16-12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyZCEYDFDIRFIQOD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.85
Rot. Bonds3

About 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61334501) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61334501
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCc1ccc(-c2nc(CCN)no2)c(C)c1
InChIInChI=1S/C12H15N3O/c1-8-3-4-10(9(2)7-8)12-14-11(5-6-13)15-16-12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyZCEYDFDIRFIQOD-UHFFFAOYSA-N
XLogP1.85
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61334501) is 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is Cc1ccc(-c2nc(CCN)no2)c(C)c1.
What is the InChIKey of 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is ZCEYDFDIRFIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-3-4-10(9(2)7-8)12-14-11(5-6-13)15-16-12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61334501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).