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

C10H16N4O2 — CID 10775505

IUPAC3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(C2CN=CNC2)n1
InChIInChI=1S/C10H16N4O2/c1-2-15-4-3-9-13-10(16-14-9)8-5-11-7-12-6-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyJDDYKFQIIBEOOL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.36
Rot. Bonds5

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

3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 10775505) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID10775505
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(C2CN=CNC2)n1
InChIInChI=1S/C10H16N4O2/c1-2-15-4-3-9-13-10(16-14-9)8-5-11-7-12-6-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyJDDYKFQIIBEOOL-UHFFFAOYSA-N
XLogP0.36
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (CID 10775505) is 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is CCOCCc1noc(C2CN=CNC2)n1.
What is the InChIKey of 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is JDDYKFQIIBEOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-15-4-3-9-13-10(16-14-9)8-5-11-7-12-6-8/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 224.26 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 10775505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).