3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

C9H14N4O2 — CID 10774804

IUPAC3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCOCc1noc(C2CN=CNC2)n1
InChIInChI=1S/C9H14N4O2/c1-2-14-5-8-12-9(15-13-8)7-3-10-6-11-4-7/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyMXWQCXJSLXPRIY-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.32
Rot. Bonds4

About 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 10774804) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID10774804
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCOCc1noc(C2CN=CNC2)n1
InChIInChI=1S/C9H14N4O2/c1-2-14-5-8-12-9(15-13-8)7-3-10-6-11-4-7/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyMXWQCXJSLXPRIY-UHFFFAOYSA-N
XLogP0.32
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (CID 10774804) is 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is CCOCc1noc(C2CN=CNC2)n1.
What is the InChIKey of 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is MXWQCXJSLXPRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-14-5-8-12-9(15-13-8)7-3-10-6-11-4-7/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 210.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 10774804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).