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

C15H7F6N3O2 — CID 146309662

IUPAC4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)(F)F)o2)ccn1Cc1cc(F)c(F)cc1F
InChIInChI=1S/C15H7F6N3O2/c16-9-5-11(18)10(17)3-8(9)6-24-2-1-7(4-12(24)25)13-22-23-14(26-13)15(19,20)21/h1-5H,6H2
InChIKeyZTOFFBKGKCVGQX-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.38
Rot. Bonds3

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

4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one (PubChem CID 146309662) has the molecular formula C15H7F6N3O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one
PubChem CID146309662
Molecular FormulaC15H7F6N3O2
Molecular Weight375.23 g/mol
Exact Mass375.04
IUPAC Name4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one
SMILESO=c1cc(-c2nnc(C(F)(F)F)o2)ccn1Cc1cc(F)c(F)cc1F
InChIInChI=1S/C15H7F6N3O2/c16-9-5-11(18)10(17)3-8(9)6-24-2-1-7(4-12(24)25)13-22-23-14(26-13)15(19,20)21/h1-5H,6H2
InChIKeyZTOFFBKGKCVGQX-UHFFFAOYSA-N
XLogP3.38
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbut-2-enyl)-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-one
CID 146309746
2-[2-oxo-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-pyridinyl]ethyl benzoate
CID 146309636
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyridin-2-one
CID 146309700
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 146309694
2-(4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 178189718
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(5-fluoro-2-pyridinyl)methyl]pyridin-2-one
CID 156525703
N-(4-fluorophenyl)-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]methanesulfinamide
CID 145238702
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[2-[4-(trifluoromethyl)-3-pyridinyl]ethyl]pyridin-2-one
CID 156525731
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridin-2-one
CID 156525472
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[[4-(trifluoromethoxy)-2-pyridinyl]methyl]pyridin-2-one
CID 156525799
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544397
2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171390427

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one (CID 146309662) is 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one is O=c1cc(-c2nnc(C(F)(F)F)o2)ccn1Cc1cc(F)c(F)cc1F.
What is the InChIKey of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one?
The InChIKey is ZTOFFBKGKCVGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O2/c16-9-5-11(18)10(17)3-8(9)6-24-2-1-7(4-12(24)25)13-22-23-14(26-13)15(19,20)21/h1-5H,6H2.
What are the key properties of 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one?
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one has a molecular weight of 375.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(2,4,5-trifluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 146309662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).