1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine

C11H21N3O2 — CID 116704581

IUPAC1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
SMILESCCOC(C)(C)c1noc(C(CC)NC)n1
InChIInChI=1S/C11H21N3O2/c1-6-8(12-5)9-13-10(14-16-9)11(3,4)15-7-2/h8,12H,6-7H2,1-5H3
InChIKeyIUPZEHVEKTYMCQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.01
Rot. Bonds6

About 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine

1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine (PubChem CID 116704581) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
PubChem CID116704581
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
SMILESCCOC(C)(C)c1noc(C(CC)NC)n1
InChIInChI=1S/C11H21N3O2/c1-6-8(12-5)9-13-10(14-16-9)11(3,4)15-7-2/h8,12H,6-7H2,1-5H3
InChIKeyIUPZEHVEKTYMCQ-UHFFFAOYSA-N
XLogP2.01
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915981
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733624
4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527156
5-(1-bromopropyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79203015
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116704420
(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894834
N-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62473448
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527167
1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743615
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 116733616
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethyl-4-methylpentan-2-amine
CID 116733645
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116732991

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine (CID 116704581) is 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine is CCOC(C)(C)c1noc(C(CC)NC)n1.
What is the InChIKey of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is IUPZEHVEKTYMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6-8(12-5)9-13-10(14-16-9)11(3,4)15-7-2/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine?
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 116704581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).