2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole

C14H7Cl2FN2O — CID 676108

IUPAC2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C14H7Cl2FN2O/c15-9-3-6-11(12(16)7-9)14-19-18-13(20-14)8-1-4-10(17)5-2-8/h1-7H
InChIKeyXPVACSAPTYZVCV-UHFFFAOYSA-N
MW309.13 g/mol
LogP4.85
Rot. Bonds2

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

2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 676108) has the molecular formula C14H7Cl2FN2O and a molecular weight of 309.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID676108
Molecular FormulaC14H7Cl2FN2O
Molecular Weight309.13 g/mol
Exact Mass307.99
IUPAC Name2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C14H7Cl2FN2O/c15-9-3-6-11(12(16)7-9)14-19-18-13(20-14)8-1-4-10(17)5-2-8/h1-7H
InChIKeyXPVACSAPTYZVCV-UHFFFAOYSA-N
XLogP4.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 54.85
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-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 676108) is 2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is XPVACSAPTYZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O/c15-9-3-6-11(12(16)7-9)14-19-18-13(20-14)8-1-4-10(17)5-2-8/h1-7H.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 309.13 g/mol, XLogP of 4.85, 2 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-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 676108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).