3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine

C11H19N3O3 — CID 106474530

IUPAC3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
SMILESCCOCc1noc(C2COCCC2NC)n1
InChIInChI=1S/C11H19N3O3/c1-3-15-7-10-13-11(17-14-10)8-6-16-5-4-9(8)12-2/h8-9,12H,3-7H2,1-2H3
InChIKeyIXFWIYRMPPQLFR-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.70
Rot. Bonds5

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

3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine (PubChem CID 106474530) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
PubChem CID106474530
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
SMILESCCOCc1noc(C2COCCC2NC)n1
InChIInChI=1S/C11H19N3O3/c1-3-15-7-10-13-11(17-14-10)8-6-16-5-4-9(8)12-2/h8-9,12H,3-7H2,1-2H3
InChIKeyIXFWIYRMPPQLFR-UHFFFAOYSA-N
XLogP0.70
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The IUPAC name of 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine (CID 106474530) is 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine is CCOCc1noc(C2COCCC2NC)n1.
What is the InChIKey of 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
The InChIKey is IXFWIYRMPPQLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-15-7-10-13-11(17-14-10)8-6-16-5-4-9(8)12-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine?
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine has a molecular weight of 241.29 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine is sourced from PubChem (CID 106474530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).