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

C15H8Cl2N2O3 — CID 903866

IUPAC2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1Cl
InChIInChI=1S/C15H8Cl2N2O3/c16-10-3-1-8(5-11(10)17)14-18-19-15(22-14)9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2
InChIKeyUDOWYIRLNWCXTJ-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.44
Rot. Bonds2

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

2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 903866) 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-(3,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID903866
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1Cl
InChIInChI=1S/C15H8Cl2N2O3/c16-10-3-1-8(5-11(10)17)14-18-19-15(22-14)9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2
InChIKeyUDOWYIRLNWCXTJ-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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Related Compounds

2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 756146
5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-carbonitrile
CID 154190788
4-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
CID 47059089
2-amino-2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82363363
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
4-(1,3-benzodioxol-5-yl)-2-chlorophenol
CID 39232296
5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine
CID 4799055
1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methanol
CID 61082396
2-(1,3-benzodioxol-5-yl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazole
CID 19552640
2-(1,3-benzodioxol-5-yl)-5-[3-[(2-bromophenoxy)methyl]phenyl]-1,3,4-oxadiazole
CID 19542619
5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole
CID 2901493
2-(1,3-benzodioxol-5-yl)-5-(3-phenylpropylsulfanyl)-1,3,4-oxadiazole
CID 2572662

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole (CID 903866) is 2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1Cl.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is UDOWYIRLNWCXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-10-3-1-8(5-11(10)17)14-18-19-15(22-14)9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole?
2-(1,3-benzodioxol-5-yl)-5-(3,4-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-(3,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 903866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).