3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole

C14H7ClF2N2O — CID 2803952

IUPAC3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H7ClF2N2O/c15-9-6-4-8(5-7-9)13-18-14(20-19-13)12-10(16)2-1-3-11(12)17/h1-7H
InChIKeyYLPYJDPMAQJMAO-UHFFFAOYSA-N
MW292.67 g/mol
LogP4.34
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole (PubChem CID 2803952) has the molecular formula C14H7ClF2N2O and a molecular weight of 292.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
PubChem CID2803952
Molecular FormulaC14H7ClF2N2O
Molecular Weight292.67 g/mol
Exact Mass292.02
IUPAC Name3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H7ClF2N2O/c15-9-6-4-8(5-7-9)13-18-14(20-19-13)12-10(16)2-1-3-11(12)17/h1-7H
InChIKeyYLPYJDPMAQJMAO-UHFFFAOYSA-N
XLogP4.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole (CID 2803952) is 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole is Fc1cccc(F)c1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole?
The InChIKey is YLPYJDPMAQJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O/c15-9-6-4-8(5-7-9)13-18-14(20-19-13)12-10(16)2-1-3-11(12)17/h1-7H.
What are the key properties of 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole has a molecular weight of 292.67 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2803952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).