2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole

C15H11N3O3 — CID 25010002

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)c1
InChIInChI=1S/C15H11N3O3/c1-2-11(9-16-5-1)15-18-17-14(21-15)10-3-4-12-13(8-10)20-7-6-19-12/h1-5,8-9H,6-7H2
InChIKeyNOSXUGLCYACDDI-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.57
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 25010002) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID25010002
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1cncc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)c1
InChIInChI=1S/C15H11N3O3/c1-2-11(9-16-5-1)15-18-17-14(21-15)10-3-4-12-13(8-10)20-7-6-19-12/h1-5,8-9H,6-7H2
InChIKeyNOSXUGLCYACDDI-UHFFFAOYSA-N
XLogP2.57
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 25010002) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is c1cncc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is NOSXUGLCYACDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-2-11(9-16-5-1)15-18-17-14(21-15)10-3-4-12-13(8-10)20-7-6-19-12/h1-5,8-9H,6-7H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 281.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 25010002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).