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

C15H8Cl2N2O3 — CID 756146

IUPAC2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c(Cl)c1
InChIInChI=1S/C15H8Cl2N2O3/c16-9-2-3-10(11(17)6-9)15-19-18-14(22-15)8-1-4-12-13(5-8)21-7-20-12/h1-6H,7H2
InChIKeyNJMKCXPUQFIAOY-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.44
Rot. Bonds2

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

2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 756146) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID756146
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c(Cl)c1
InChIInChI=1S/C15H8Cl2N2O3/c16-9-2-3-10(11(17)6-9)15-19-18-14(22-15)8-1-4-12-13(5-8)21-7-20-12/h1-6H,7H2
InChIKeyNJMKCXPUQFIAOY-UHFFFAOYSA-N
XLogP4.44
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (CID 756146) is 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c(Cl)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is NJMKCXPUQFIAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-9-2-3-10(11(17)6-9)15-19-18-14(22-15)8-1-4-12-13(5-8)21-7-20-12/h1-6H,7H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 335.15 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 756146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).