2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole

C16H10N2O5 — CID 781458

IUPAC2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
SMILESc1cc2c(cc1-c1nnc(-c3ccc4c(c3)OCO4)o1)OCO2
InChIInChI=1S/C16H10N2O5/c1-3-11-13(21-7-19-11)5-9(1)15-17-18-16(23-15)10-2-4-12-14(6-10)22-8-20-12/h1-6H,7-8H2
InChIKeyIETZUPROJASXCZ-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.86
Rot. Bonds2

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

2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole (PubChem CID 781458) has the molecular formula C16H10N2O5 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
PubChem CID781458
Molecular FormulaC16H10N2O5
Molecular Weight310.27 g/mol
Exact Mass310.06
IUPAC Name2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
SMILESc1cc2c(cc1-c1nnc(-c3ccc4c(c3)OCO4)o1)OCO2
InChIInChI=1S/C16H10N2O5/c1-3-11-13(21-7-19-11)5-9(1)15-17-18-16(23-15)10-2-4-12-14(6-10)22-8-20-12/h1-6H,7-8H2
InChIKeyIETZUPROJASXCZ-UHFFFAOYSA-N
XLogP2.86
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole (CID 781458) is 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole is c1cc2c(cc1-c1nnc(-c3ccc4c(c3)OCO4)o1)OCO2.
What is the InChIKey of 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole?
The InChIKey is IETZUPROJASXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O5/c1-3-11-13(21-7-19-11)5-9(1)15-17-18-16(23-15)10-2-4-12-14(6-10)22-8-20-12/h1-6H,7-8H2.
What are the key properties of 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole?
2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole has a molecular weight of 310.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).