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

C16H12F3N3O2 — CID 53156519

IUPAC1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCn1cc(-c2noc(Cc3cccc(C(F)(F)F)c3)n2)ccc1=O
InChIInChI=1S/C16H12F3N3O2/c1-22-9-11(5-6-14(22)23)15-20-13(24-21-15)8-10-3-2-4-12(7-10)16(17,18)19/h2-7,9H,8H2,1H3
InChIKeyCIJWYPJPZHNMMW-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.04
Rot. Bonds3

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

1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 53156519) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID53156519
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCn1cc(-c2noc(Cc3cccc(C(F)(F)F)c3)n2)ccc1=O
InChIInChI=1S/C16H12F3N3O2/c1-22-9-11(5-6-14(22)23)15-20-13(24-21-15)8-10-3-2-4-12(7-10)16(17,18)19/h2-7,9H,8H2,1H3
InChIKeyCIJWYPJPZHNMMW-UHFFFAOYSA-N
XLogP3.04
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 53156542
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078816
1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852897
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 160570810
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 8012203
2-(4-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076177
[3-(trifluoromethyl)phenyl]methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46627562
1-methyl-5-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyridin-2-one
CID 53156543
5-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 97022831

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 53156519) is 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is Cn1cc(-c2noc(Cc3cccc(C(F)(F)F)c3)n2)ccc1=O.
What is the InChIKey of 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is CIJWYPJPZHNMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-22-9-11(5-6-14(22)23)15-20-13(24-21-15)8-10-3-2-4-12(7-10)16(17,18)19/h2-7,9H,8H2,1H3.
What are the key properties of 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 335.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 53156519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).