1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

C15H9F4N3O2 — CID 7613420

IUPAC1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H9F4N3O2/c16-11-4-1-9(2-5-11)14-21-20-12(24-14)8-22-7-10(15(17,18)19)3-6-13(22)23/h1-7H,8H2
InChIKeyDFWJJKOKQDGWCP-UHFFFAOYSA-N
MW339.25 g/mol
LogP3.10
Rot. Bonds3

About 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one

1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 7613420) has the molecular formula C15H9F4N3O2 and a molecular weight of 339.25 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID7613420
Molecular FormulaC15H9F4N3O2
Molecular Weight339.25 g/mol
Exact Mass339.06
IUPAC Name1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H9F4N3O2/c16-11-4-1-9(2-5-11)14-21-20-12(24-14)8-22-7-10(15(17,18)19)3-6-13(22)23/h1-7H,8H2
InChIKeyDFWJJKOKQDGWCP-UHFFFAOYSA-N
XLogP3.10
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one (CID 7613420) is 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1Cc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is DFWJJKOKQDGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2/c16-11-4-1-9(2-5-11)14-21-20-12(24-14)8-22-7-10(15(17,18)19)3-6-13(22)23/h1-7H,8H2.
What are the key properties of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 339.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 7613420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).