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

C17H14F3N3O4 — CID 145423086

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCOc1cc(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)cc(OC)c1
InChIInChI=1S/C17H14F3N3O4/c1-25-12-5-10(6-13(8-12)26-2)9-23-4-3-11(7-14(23)24)15-21-16(27-22-15)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeySLRCLGWLCGERSL-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.98
Rot. Bonds5

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

1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 145423086) has the molecular formula C17H14F3N3O4 and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID145423086
Molecular FormulaC17H14F3N3O4
Molecular Weight381.31 g/mol
Exact Mass381.09
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCOc1cc(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)cc(OC)c1
InChIInChI=1S/C17H14F3N3O4/c1-25-12-5-10(6-13(8-12)26-2)9-23-4-3-11(7-14(23)24)15-21-16(27-22-15)17(18,19)20/h3-8H,9H2,1-2H3
InChIKeySLRCLGWLCGERSL-UHFFFAOYSA-N
XLogP2.98
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(5-methoxyindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532692
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423118
1-[(2-propan-2-yl-2,3-dihydro-1,3,4-oxadiazol-5-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423082
1-[2-(benzimidazol-1-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 145423125
3-[4-[(5-methylindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532772
3-[(4-methoxyphenyl)methylamino]-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155708382
3,5-dimethoxy-N-[2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethyl]benzamide
CID 71557142
2-[(2-methoxy-4-pyridinyl)methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3H-isoindol-1-one
CID 134537709
[2-[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethyl] N-ethylcarbamate
CID 145423147
3-[4-[[5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 137414258
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-2-carbaldehyde
CID 139532705
1-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)sulfanylethanone
CID 162514734

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 145423086) is 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is COc1cc(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is SLRCLGWLCGERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4/c1-25-12-5-10(6-13(8-12)26-2)9-23-4-3-11(7-14(23)24)15-21-16(27-22-15)17(18,19)20/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 381.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 145423086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).