2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C14H19N3O2 — CID 104633580

IUPAC2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCC(N)c1noc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-9(2)10-4-6-11(7-5-10)14-16-13(17-19-14)12(15)8-18-3/h4-7,9,12H,8,15H2,1-3H3
InChIKeyFGPOVGQNBLMZQS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.51
Rot. Bonds5

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

2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 104633580) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID104633580
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCOCC(N)c1noc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-9(2)10-4-6-11(7-5-10)14-16-13(17-19-14)12(15)8-18-3/h4-7,9,12H,8,15H2,1-3H3
InChIKeyFGPOVGQNBLMZQS-UHFFFAOYSA-N
XLogP2.51
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323780
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633581
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633744
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 107965425
1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634440
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633731
2-methoxy-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633592
2-methoxy-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633749
2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
2-methoxy-1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633650

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 104633580) is 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is COCC(N)c1noc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is FGPOVGQNBLMZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)10-4-6-11(7-5-10)14-16-13(17-19-14)12(15)8-18-3/h4-7,9,12H,8,15H2,1-3H3.
What are the key properties of 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 104633580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).