5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C11H14N4O2 — CID 84596881

IUPAC5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCOCc1nnc(NCc2cccnc2)o1
InChIInChI=1S/C11H14N4O2/c1-2-16-8-10-14-15-11(17-10)13-7-9-4-3-5-12-6-9/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeyRQIRSTOVOWNNQS-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.61
Rot. Bonds6

About 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 84596881) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID84596881
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCCOCc1nnc(NCc2cccnc2)o1
InChIInChI=1S/C11H14N4O2/c1-2-16-8-10-14-15-11(17-10)13-7-9-4-3-5-12-6-9/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKeyRQIRSTOVOWNNQS-UHFFFAOYSA-N
XLogP1.61
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 84596881) is 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is CCOCc1nnc(NCc2cccnc2)o1.
What is the InChIKey of 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RQIRSTOVOWNNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-16-8-10-14-15-11(17-10)13-7-9-4-3-5-12-6-9/h3-6H,2,7-8H2,1H3,(H,13,15).
What are the key properties of 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 234.26 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84596881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).