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

C11H21N3O3 — CID 113435681

IUPAC1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(COC(C)C)n1
InChIInChI=1S/C11H21N3O3/c1-5-15-7-11(4,12)10-13-9(17-14-10)6-16-8(2)3/h8H,5-7,12H2,1-4H3
InChIKeyTYZPJPUDLGQPJH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.21
Rot. Bonds7

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

1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 113435681) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID113435681
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCOCC(C)(N)c1noc(COC(C)C)n1
InChIInChI=1S/C11H21N3O3/c1-5-15-7-11(4,12)10-13-9(17-14-10)6-16-8(2)3/h8H,5-7,12H2,1-4H3
InChIKeyTYZPJPUDLGQPJH-UHFFFAOYSA-N
XLogP1.21
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 113435681) is 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCOCC(C)(N)c1noc(COC(C)C)n1.
What is the InChIKey of 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is TYZPJPUDLGQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-15-7-11(4,12)10-13-9(17-14-10)6-16-8(2)3/h8H,5-7,12H2,1-4H3.
What are the key properties of 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 113435681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).