2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole

C18H14N2O3 — CID 56661515

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
SMILESC(=C/c1nnc(-c2ccc3c(c2)OCCO3)o1)\c1ccccc1
InChIInChI=1S/C18H14N2O3/c1-2-4-13(5-3-1)6-9-17-19-20-18(23-17)14-7-8-15-16(12-14)22-11-10-21-15/h1-9,12H,10-11H2/b9-6+
InChIKeyJMZPOQKXFUVCCN-RMKNXTFCSA-N
MW306.32 g/mol
LogP3.68
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole (PubChem CID 56661515) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
PubChem CID56661515
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
SMILESC(=C/c1nnc(-c2ccc3c(c2)OCCO3)o1)\c1ccccc1
InChIInChI=1S/C18H14N2O3/c1-2-4-13(5-3-1)6-9-17-19-20-18(23-17)14-7-8-15-16(12-14)22-11-10-21-15/h1-9,12H,10-11H2/b9-6+
InChIKeyJMZPOQKXFUVCCN-RMKNXTFCSA-N
XLogP3.68
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole (CID 56661515) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is C(=C/c1nnc(-c2ccc3c(c2)OCCO3)o1)\c1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The InChIKey is JMZPOQKXFUVCCN-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-2-4-13(5-3-1)6-9-17-19-20-18(23-17)14-7-8-15-16(12-14)22-11-10-21-15/h1-9,12H,10-11H2/b9-6+.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole has a molecular weight of 306.32 g/mol, XLogP of 3.68, 3 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-6-yl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56661515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).