1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C15H21N3O2 — CID 104636821

IUPAC1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2ccccc2CC)n1
InChIInChI=1S/C15H21N3O2/c1-4-11-8-6-7-9-12(11)13-17-14(18-20-13)15(3,16)10-19-5-2/h6-9H,4-5,10,16H2,1-3H3
InChIKeyZYTDABJUIZZWJM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.51
Rot. Bonds6

About 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104636821) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104636821
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(-c2ccccc2CC)n1
InChIInChI=1S/C15H21N3O2/c1-4-11-8-6-7-9-12(11)13-17-14(18-20-13)15(3,16)10-19-5-2/h6-9H,4-5,10,16H2,1-3H3
InChIKeyZYTDABJUIZZWJM-UHFFFAOYSA-N
XLogP2.51
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 102802232
1-ethoxy-2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 102922612
4-[3-(2-amino-1-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 104636619
2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636799
2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 107983758
2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637014
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
2-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 79205411
1-ethoxy-2-[5-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636665
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 106689504
1-ethoxy-2-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636674
2-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637128

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104636821) is 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCC(C)(N)c1noc(-c2ccccc2CC)n1.
What is the InChIKey of 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ZYTDABJUIZZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-11-8-6-7-9-12(11)13-17-14(18-20-13)15(3,16)10-19-5-2/h6-9H,4-5,10,16H2,1-3H3.
What are the key properties of 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104636821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).