3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole

C8H10N2O3 — CID 13298039

IUPAC3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole
SMILESC=COCc1nonc1COC=C
InChIInChI=1S/C8H10N2O3/c1-3-11-5-7-8(6-12-4-2)10-13-9-7/h3-4H,1-2,5-6H2
InChIKeyKWYKMAJXIUOBLQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.39
Rot. Bonds6

About 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole

3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole (PubChem CID 13298039) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole
PubChem CID13298039
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole
SMILESC=COCc1nonc1COC=C
InChIInChI=1S/C8H10N2O3/c1-3-11-5-7-8(6-12-4-2)10-13-9-7/h3-4H,1-2,5-6H2
InChIKeyKWYKMAJXIUOBLQ-UHFFFAOYSA-N
XLogP1.39
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole?
The IUPAC name of 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole (CID 13298039) is 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole.
What is the SMILES notation for 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole?
The canonical SMILES for 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole is C=COCc1nonc1COC=C.
What is the InChIKey of 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole?
The InChIKey is KWYKMAJXIUOBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-11-5-7-8(6-12-4-2)10-13-9-7/h3-4H,1-2,5-6H2.
What are the key properties of 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole?
3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole has a molecular weight of 182.18 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenoxymethyl)-1,2,5-oxadiazole is sourced from PubChem (CID 13298039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).