2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole

C20H10Cl2F3N3O2 — CID 2768648

IUPAC2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(Oc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)c1
InChIInChI=1S/C20H10Cl2F3N3O2/c21-13-7-5-11(6-8-13)17-27-28-18(30-17)14-3-1-2-4-16(14)29-19-15(22)9-12(10-26-19)20(23,24)25/h1-10H
InChIKeyLXAWVTSEVUXCSS-UHFFFAOYSA-N
MW452.22 g/mol
LogP6.92
Rot. Bonds4

About 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole (PubChem CID 2768648) has the molecular formula C20H10Cl2F3N3O2 and a molecular weight of 452.22 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole
PubChem CID2768648
Molecular FormulaC20H10Cl2F3N3O2
Molecular Weight452.22 g/mol
Exact Mass451.01
IUPAC Name2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cnc(Oc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)c1
InChIInChI=1S/C20H10Cl2F3N3O2/c21-13-7-5-11(6-8-13)17-27-28-18(30-17)14-3-1-2-4-16(14)29-19-15(22)9-12(10-26-19)20(23,24)25/h1-10H
InChIKeyLXAWVTSEVUXCSS-UHFFFAOYSA-N
XLogP6.92
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.22
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole (CID 2768648) is 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole is FC(F)(F)c1cnc(Oc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is LXAWVTSEVUXCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F3N3O2/c21-13-7-5-11(6-8-13)17-27-28-18(30-17)14-3-1-2-4-16(14)29-19-15(22)9-12(10-26-19)20(23,24)25/h1-10H.
What are the key properties of 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 452.22 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2768648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).