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

C12H21N3O3 — CID 104636856

IUPAC1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(C2CCOC2C)n1
InChIInChI=1S/C12H21N3O3/c1-4-16-7-12(3,13)11-14-10(18-15-11)9-5-6-17-8(9)2/h8-9H,4-7,13H2,1-3H3
InChIKeyZPIQFOBKXLWXEB-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.17
Rot. Bonds5

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

1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104636856) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104636856
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(C2CCOC2C)n1
InChIInChI=1S/C12H21N3O3/c1-4-16-7-12(3,13)11-14-10(18-15-11)9-5-6-17-8(9)2/h8-9H,4-7,13H2,1-3H3
InChIKeyZPIQFOBKXLWXEB-UHFFFAOYSA-N
XLogP1.17
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-1-ethoxypropan-2-amine
CID 104636868
1-ethoxy-2-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435692
1-methoxy-2-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636466
2-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636792
2-[5-(3-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637182
1-ethoxy-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636628
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435494
3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79763177
3-(1-chloropropyl)-5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole
CID 103095548
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636584
1-ethoxy-2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103310878

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104636856) is 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCC(C)(N)c1noc(C2CCOC2C)n1.
What is the InChIKey of 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ZPIQFOBKXLWXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-16-7-12(3,13)11-14-10(18-15-11)9-5-6-17-8(9)2/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104636856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).