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

C20H11ClF3N3O2 — CID 2744488

IUPAC5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)nc1
InChIInChI=1S/C20H11ClF3N3O2/c21-15-6-1-13(2-7-15)19-26-18(27-29-19)12-3-8-16(9-4-12)28-17-10-5-14(11-25-17)20(22,23)24/h1-11H
InChIKeyVXHKNURAMSGEHP-UHFFFAOYSA-N
MW417.77 g/mol
LogP6.26
Rot. Bonds4

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

5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole (PubChem CID 2744488) has the molecular formula C20H11ClF3N3O2 and a molecular weight of 417.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole
PubChem CID2744488
Molecular FormulaC20H11ClF3N3O2
Molecular Weight417.77 g/mol
Exact Mass417.05
IUPAC Name5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)nc1
InChIInChI=1S/C20H11ClF3N3O2/c21-15-6-1-13(2-7-15)19-26-18(27-29-19)12-3-8-16(9-4-12)28-17-10-5-14(11-25-17)20(22,23)24/h1-11H
InChIKeyVXHKNURAMSGEHP-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 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole (CID 2744488) is 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)nc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is VXHKNURAMSGEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF3N3O2/c21-15-6-1-13(2-7-15)19-26-18(27-29-19)12-3-8-16(9-4-12)28-17-10-5-14(11-25-17)20(22,23)24/h1-11H.
What are the key properties of 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-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 5-(4-chlorophenyl)-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2744488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).