5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole

C15H8ClF3N2O — CID 5137507

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1nc(-c2c(F)cccc2F)no1
InChIInChI=1S/C15H8ClF3N2O/c16-9-3-1-4-10(17)8(9)7-13-20-15(21-22-13)14-11(18)5-2-6-12(14)19/h1-6H,7H2
InChIKeyIAJFGPPFYDLBQX-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.40
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole

5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole (PubChem CID 5137507) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
PubChem CID5137507
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1nc(-c2c(F)cccc2F)no1
InChIInChI=1S/C15H8ClF3N2O/c16-9-3-1-4-10(17)8(9)7-13-20-15(21-22-13)14-11(18)5-2-6-12(14)19/h1-6H,7H2
InChIKeyIAJFGPPFYDLBQX-UHFFFAOYSA-N
XLogP4.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole (CID 5137507) is 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole is Fc1cccc(Cl)c1Cc1nc(-c2c(F)cccc2F)no1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The InChIKey is IAJFGPPFYDLBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-9-3-1-4-10(17)8(9)7-13-20-15(21-22-13)14-11(18)5-2-6-12(14)19/h1-6H,7H2.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole?
5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole has a molecular weight of 324.69 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 5137507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).