2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole

C10H8N2O3 — CID 14140718

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(c1)OCC(c1nnco1)O2
InChIInChI=1S/C10H8N2O3/c1-2-4-8-7(3-1)13-5-9(15-8)10-12-11-6-14-10/h1-4,6,9H,5H2
InChIKeyUDXOQPQVOHUVSE-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.58
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole (PubChem CID 14140718) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
PubChem CID14140718
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(c1)OCC(c1nnco1)O2
InChIInChI=1S/C10H8N2O3/c1-2-4-8-7(3-1)13-5-9(15-8)10-12-11-6-14-10/h1-4,6,9H,5H2
InChIKeyUDXOQPQVOHUVSE-UHFFFAOYSA-N
XLogP1.58
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole (CID 14140718) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole is c1ccc2c(c1)OCC(c1nnco1)O2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole?
The InChIKey is UDXOQPQVOHUVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-2-4-8-7(3-1)13-5-9(15-8)10-12-11-6-14-10/h1-4,6,9H,5H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole has a molecular weight of 204.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 14140718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).