2-(2,3-dichlorophenyl)-1,3,4-oxadiazole

C8H4Cl2N2O — CID 68706542

IUPAC2-(2,3-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1cccc(-c2nnco2)c1Cl
InChIInChI=1S/C8H4Cl2N2O/c9-6-3-1-2-5(7(6)10)8-12-11-4-13-8/h1-4H
InChIKeyLRVRNZFAMJNBQU-UHFFFAOYSA-N
MW215.04 g/mol
LogP3.04
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole

2-(2,3-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 68706542) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID68706542
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name2-(2,3-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1cccc(-c2nnco2)c1Cl
InChIInChI=1S/C8H4Cl2N2O/c9-6-3-1-2-5(7(6)10)8-12-11-4-13-8/h1-4H
InChIKeyLRVRNZFAMJNBQU-UHFFFAOYSA-N
XLogP3.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Oxadiazole, 2-phenyl-
CID 13217
2-(3-Chlorophenyl)-1,3,4-oxadiazole
CID 24283020
2-(3-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 259755
2-(2-Chlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 884660
2-Amino-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 3694323
2-(2,4-Dichlorophenyl)-5-phenyl-1,3,4-oxadiazole
CID 96854
2-(2,4-Dichlorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole
CID 742487
2-(2-Chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 756156
2-[4-Chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 146424963
2,5-Bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-(2-Chlorophenyl)-5-(methylsulfanyl)-1,3,4-oxadiazole
CID 779819
1,3,4-Oxadiazole, 2-[2-chloro-3-(trifluoromethyl)phenyl]-
CID 68703505

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole (CID 68706542) is 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole is Clc1cccc(-c2nnco2)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is LRVRNZFAMJNBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-6-3-1-2-5(7(6)10)8-12-11-4-13-8/h1-4H.
What are the key properties of 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole?
2-(2,3-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 215.04 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 68706542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).