2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole

C20H12Cl2N2O — CID 4662305

IUPAC2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(C=Cc3cccc4ccccc34)o2)c(Cl)c1
InChIInChI=1S/C20H12Cl2N2O/c21-15-9-10-17(18(22)12-15)20-24-23-19(25-20)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H
InChIKeySMZZLEDFUSFVJM-UHFFFAOYSA-N
MW367.24 g/mol
LogP6.37
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole

2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole (PubChem CID 4662305) has the molecular formula C20H12Cl2N2O and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole
PubChem CID4662305
Molecular FormulaC20H12Cl2N2O
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(C=Cc3cccc4ccccc34)o2)c(Cl)c1
InChIInChI=1S/C20H12Cl2N2O/c21-15-9-10-17(18(22)12-15)20-24-23-19(25-20)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H
InChIKeySMZZLEDFUSFVJM-UHFFFAOYSA-N
XLogP6.37
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole (CID 4662305) is 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(C=Cc3cccc4ccccc34)o2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole?
The InChIKey is SMZZLEDFUSFVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O/c21-15-9-10-17(18(22)12-15)20-24-23-19(25-20)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole has a molecular weight of 367.24 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 4662305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).