2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole

C8H8N4O3 — CID 17244518

IUPAC2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole
SMILESCCOC=C(c1nnco1)c1nnco1
InChIInChI=1S/C8H8N4O3/c1-2-13-3-6(7-11-9-4-14-7)8-12-10-5-15-8/h3-5H,2H2,1H3
InChIKeyZNXRDTCEDBORBD-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.88
Rot. Bonds4

About 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole

2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole (PubChem CID 17244518) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole
PubChem CID17244518
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole
SMILESCCOC=C(c1nnco1)c1nnco1
InChIInChI=1S/C8H8N4O3/c1-2-13-3-6(7-11-9-4-14-7)8-12-10-5-15-8/h3-5H,2H2,1H3
InChIKeyZNXRDTCEDBORBD-UHFFFAOYSA-N
XLogP0.88
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole (CID 17244518) is 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole is CCOC=C(c1nnco1)c1nnco1.
What is the InChIKey of 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is ZNXRDTCEDBORBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-2-13-3-6(7-11-9-4-14-7)8-12-10-5-15-8/h3-5H,2H2,1H3.
What are the key properties of 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole?
2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 208.18 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-1-(1,3,4-oxadiazol-2-yl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 17244518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).