5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C16H11F3N2O2 — CID 6460218

IUPAC5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1
InChIInChI=1S/C16H11F3N2O2/c1-22-13-7-5-10(6-8-13)15-20-14(21-23-15)11-3-2-4-12(9-11)16(17,18)19/h2-9H,1H3
InChIKeyXRZXJDVPLUASHX-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.43
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 6460218) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID6460218
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1
InChIInChI=1S/C16H11F3N2O2/c1-22-13-7-5-10(6-8-13)15-20-14(21-23-15)11-3-2-4-12(9-11)16(17,18)19/h2-9H,1H3
InChIKeyXRZXJDVPLUASHX-UHFFFAOYSA-N
XLogP4.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 6460218) is 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is XRZXJDVPLUASHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-22-13-7-5-10(6-8-13)15-20-14(21-23-15)11-3-2-4-12(9-11)16(17,18)19/h2-9H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 320.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 6460218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).