2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole

C20H11ClF3N3O2 — CID 2727149

IUPAC2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(Oc2ccccc2)ncc1-c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C20H11ClF3N3O2/c21-16-9-5-4-8-13(16)18-26-27-19(29-18)14-11-25-17(10-15(14)20(22,23)24)28-12-6-2-1-3-7-12/h1-11H
InChIKeyFDJLPQZXPDIQCD-UHFFFAOYSA-N
MW417.77 g/mol
LogP6.26
Rot. Bonds4

About 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 2727149) has the molecular formula C20H11ClF3N3O2 and a molecular weight of 417.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID2727149
Molecular FormulaC20H11ClF3N3O2
Molecular Weight417.77 g/mol
Exact Mass417.05
IUPAC Name2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(Oc2ccccc2)ncc1-c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C20H11ClF3N3O2/c21-16-9-5-4-8-13(16)18-26-27-19(29-18)14-11-25-17(10-15(14)20(22,23)24)28-12-6-2-1-3-7-12/h1-11H
InChIKeyFDJLPQZXPDIQCD-UHFFFAOYSA-N
XLogP6.26
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.77
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 2727149) is 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1cc(Oc2ccccc2)ncc1-c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is FDJLPQZXPDIQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF3N3O2/c21-16-9-5-4-8-13(16)18-26-27-19(29-18)14-11-25-17(10-15(14)20(22,23)24)28-12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 417.77 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[6-phenoxy-4-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2727149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).