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

C15H10F3N3O2 — CID 15956940

IUPAC5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ncccc3C(F)(F)F)no2)c1
InChIInChI=1S/C15H10F3N3O2/c1-22-10-5-2-4-9(8-10)14-20-13(21-23-14)12-11(15(16,17)18)6-3-7-19-12/h2-8H,1H3
InChIKeyOGMLNDWKCOTMKJ-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.83
Rot. Bonds3

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

5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 15956940) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID15956940
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ncccc3C(F)(F)F)no2)c1
InChIInChI=1S/C15H10F3N3O2/c1-22-10-5-2-4-9(8-10)14-20-13(21-23-14)12-11(15(16,17)18)6-3-7-19-12/h2-8H,1H3
InChIKeyOGMLNDWKCOTMKJ-UHFFFAOYSA-N
XLogP3.83
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole (CID 15956940) is 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is COc1cccc(-c2nc(-c3ncccc3C(F)(F)F)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is OGMLNDWKCOTMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-22-10-5-2-4-9(8-10)14-20-13(21-23-14)12-11(15(16,17)18)6-3-7-19-12/h2-8H,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole?
5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 321.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 15956940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).