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

C24H20F3N3O5S — CID 73331650

IUPAC1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCC(C)(O)c1cccc(Cn2cc(-c3noc(-c4ccc(S(=O)(=O)C(F)(F)F)cc4)n3)ccc2=O)c1
InChIInChI=1S/C24H20F3N3O5S/c1-23(2,32)18-5-3-4-15(12-18)13-30-14-17(8-11-20(30)31)21-28-22(35-29-21)16-6-9-19(10-7-16)36(33,34)24(25,26)27/h3-12,14,32H,13H2,1-2H3
InChIKeyCVMZFEQSQLQBEI-UHFFFAOYSA-N
MW519.50 g/mol
LogP4.13
Rot. Bonds6

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

1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 73331650) has the molecular formula C24H20F3N3O5S and a molecular weight of 519.50 g/mol. Its IUPAC name is 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID73331650
Molecular FormulaC24H20F3N3O5S
Molecular Weight519.50 g/mol
Exact Mass519.11
IUPAC Name1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCC(C)(O)c1cccc(Cn2cc(-c3noc(-c4ccc(S(=O)(=O)C(F)(F)F)cc4)n3)ccc2=O)c1
InChIInChI=1S/C24H20F3N3O5S/c1-23(2,32)18-5-3-4-15(12-18)13-30-14-17(8-11-20(30)31)21-28-22(35-29-21)16-6-9-19(10-7-16)36(33,34)24(25,26)27/h3-12,14,32H,13H2,1-2H3
InChIKeyCVMZFEQSQLQBEI-UHFFFAOYSA-N
XLogP4.13
TPSA115.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(2-methoxyethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73331081
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 73332715
S-[[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]methyl] ethanethioate
CID 86712176
1-[(3-prop-2-enoxyphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712188
2-[3-[[5-methyl-3-[3-[4-(trifluoromethylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenyl]propan-2-ol
CID 54591977
N,N-dimethyl-4-[3-[[2-oxo-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyridinyl]methyl]phenyl]piperidine-1-sulfonamide
CID 73332415
1-[[3-(2-methoxyethoxy)phenyl]methyl]-5-[5-[4-(methylaminosulfanyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 144580615
1-[(4-methylphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
CID 86712164
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-one
CID 166850657
1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 53156519
N'-hydroxy-6-oxo-1-[(3-propoxyphenyl)methyl]pyridine-3-carboximidamide;1-[(3-propoxyphenyl)methyl]-5-[5-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one;4-[1-(trifluoromethyl)cyclopropyl]benzoic acid
CID 172916919
5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrimidin-5-ylmethyl)pyridin-2-one
CID 166850823

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 73331650) is 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is CC(C)(O)c1cccc(Cn2cc(-c3noc(-c4ccc(S(=O)(=O)C(F)(F)F)cc4)n3)ccc2=O)c1.
What is the InChIKey of 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is CVMZFEQSQLQBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O5S/c1-23(2,32)18-5-3-4-15(12-18)13-30-14-17(8-11-20(30)31)21-28-22(35-29-21)16-6-9-19(10-7-16)36(33,34)24(25,26)27/h3-12,14,32H,13H2,1-2H3.
What are the key properties of 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one?
1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 519.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-hydroxypropan-2-yl)phenyl]methyl]-5-[5-[4-(trifluoromethylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 73331650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).