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

C20H10Cl2F3N3O2 — CID 2727174

IUPAC2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(Oc2ccc(Cl)cc2)ncc1-c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C20H10Cl2F3N3O2/c21-12-4-6-14(7-5-12)29-17-9-16(20(23,24)25)15(10-26-17)19-28-27-18(30-19)11-2-1-3-13(22)8-11/h1-10H
InChIKeyQWTCGYRRWSTVCX-UHFFFAOYSA-N
MW452.22 g/mol
LogP6.92
Rot. Bonds4

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

2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 2727174) has the molecular formula C20H10Cl2F3N3O2 and a molecular weight of 452.22 g/mol. Its IUPAC name is 2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole
PubChem CID2727174
Molecular FormulaC20H10Cl2F3N3O2
Molecular Weight452.22 g/mol
Exact Mass451.01
IUPAC Name2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(Oc2ccc(Cl)cc2)ncc1-c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C20H10Cl2F3N3O2/c21-12-4-6-14(7-5-12)29-17-9-16(20(23,24)25)15(10-26-17)19-28-27-18(30-19)11-2-1-3-13(22)8-11/h1-10H
InChIKeyQWTCGYRRWSTVCX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole (CID 2727174) is 2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole is FC(F)(F)c1cc(Oc2ccc(Cl)cc2)ncc1-c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is QWTCGYRRWSTVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F3N3O2/c21-12-4-6-14(7-5-12)29-17-9-16(20(23,24)25)15(10-26-17)19-28-27-18(30-19)11-2-1-3-13(22)8-11/h1-10H.
What are the key properties of 2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole?
2-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-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-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-5-(3-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2727174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).