1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

C109H109F11N14O8 — CID 161138853

IUPAC1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCCCc1cn(-c2ccc(CC(=O)Cc3cc(CCC(C)=O)ccc3C)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3cncc(F)c3)cc2)nn1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.O=C(Cc1ccc(-n2cc(CF)nn2)cc1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C26H31N3O2.2C22H21F3N2O2.C20H21FN4O.C19H15F4N3O/c1-4-5-6-24-18-29(28-27-24)25-13-11-22(12-14-25)16-26(31)17-23-15-21(9-7-19(23)2)10-8-20(3)30;1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-8-20-26-21(27-29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-4-18-14-25(24-23-18)19-7-5-15(6-8-19)10-20(26)11-16-9-17(21)13-22-12-16;20-11-15-12-26(25-24-15)16-7-5-13(6-8-16)9-17(27)10-14-3-1-2-4-18(14)19(21,22)23/h7,9,11-15,18H,4-6,8,10,16-17H2,1-3H3;2*4-7,9-12H,2-3,8,13-14H2,1H3;5-9,12-14H,2-4,10-11H2,1H3;1-8,12H,9-11H2
InChIKeyUNDXFHYZGHYVGC-UHFFFAOYSA-N
MW1952.14 g/mol
LogP23.31
Rot. Bonds41

About 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one

1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 161138853) has the molecular formula C109H109F11N14O8 and a molecular weight of 1952.14 g/mol. Its IUPAC name is 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
PubChem CID161138853
Molecular FormulaC109H109F11N14O8
Molecular Weight1952.14 g/mol
Exact Mass1950.84
IUPAC Name1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
SMILESCCCCc1cn(-c2ccc(CC(=O)Cc3cc(CCC(C)=O)ccc3C)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3cncc(F)c3)cc2)nn1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.O=C(Cc1ccc(-n2cc(CF)nn2)cc1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C26H31N3O2.2C22H21F3N2O2.C20H21FN4O.C19H15F4N3O/c1-4-5-6-24-18-29(28-27-24)25-13-11-22(12-14-25)16-26(31)17-23-15-21(9-7-19(23)2)10-8-20(3)30;1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-8-20-26-21(27-29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-4-18-14-25(24-23-18)19-7-5-15(6-8-19)10-20(26)11-16-9-17(21)13-22-12-16;20-11-15-12-26(25-24-15)16-7-5-13(6-8-16)9-17(27)10-14-3-1-2-4-18(14)19(21,22)23/h7,9,11-15,18H,4-6,8,10,16-17H2,1-3H3;2*4-7,9-12H,2-3,8,13-14H2,1H3;5-9,12-14H,2-4,10-11H2,1H3;1-8,12H,9-11H2
InChIKeyUNDXFHYZGHYVGC-UHFFFAOYSA-N
XLogP23.31
TPSA285.28 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds41
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.14
LogP ≤ 523.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one with MolForge

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Related Compounds

methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157163912
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]purin-8-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157371199
1-[4-(5-Butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 157452988
1-[4-(5-Butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,2-oxazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)-3-methoxyphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[6-(4-butyltriazol-1-yl)-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 157596201
(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 158192770
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 160198434
1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 160698376
1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-2H-tetrazol-3-ium-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-thiadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one
CID 160872926
(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 161841959
7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzonitrile;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167617890
7-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-methyl-6-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 157103339
1,5-Dimethyl-4-(4-propan-2-ylphenyl)pyrazole;ethane;methane;1-methyl-5-(4-propan-2-ylphenyl)imidazole;bis(3-methyl-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole);1-methyl-4-(4-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)triazole
CID 157208575

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one (CID 161138853) is 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is CCCCc1cn(-c2ccc(CC(=O)Cc3cc(CCC(C)=O)ccc3C)cc2)nn1.CCCCc1cn(-c2ccc(CC(=O)Cc3cncc(F)c3)cc2)nn1.CCCCc1nc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)no1.CCCCc1nnc(-c2ccc(CC(=O)Cc3ccccc3C(F)(F)F)cc2)o1.O=C(Cc1ccc(-n2cc(CF)nn2)cc1)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is UNDXFHYZGHYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2.2C22H21F3N2O2.C20H21FN4O.C19H15F4N3O/c1-4-5-6-24-18-29(28-27-24)25-13-11-22(12-14-25)16-26(31)17-23-15-21(9-7-19(23)2)10-8-20(3)30;1-2-3-8-20-26-27-21(29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-8-20-26-21(27-29-20)16-11-9-15(10-12-16)13-18(28)14-17-6-4-5-7-19(17)22(23,24)25;1-2-3-4-18-14-25(24-23-18)19-7-5-15(6-8-19)10-20(26)11-16-9-17(21)13-22-12-16;20-11-15-12-26(25-24-15)16-7-5-13(6-8-16)9-17(27)10-14-3-1-2-4-18(14)19(21,22)23/h7,9,11-15,18H,4-6,8,10,16-17H2,1-3H3;2*4-7,9-12H,2-3,8,13-14H2,1H3;5-9,12-14H,2-4,10-11H2,1H3;1-8,12H,9-11H2.
What are the key properties of 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one?
1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 1952.14 g/mol, XLogP of 23.31, 41 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(5-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[4-(4-butyltriazol-1-yl)phenyl]-3-(5-fluoro-3-pyridinyl)propan-2-one;4-[3-[3-[4-(4-butyltriazol-1-yl)phenyl]-2-oxopropyl]-4-methylphenyl]butan-2-one;1-[4-[4-(fluoromethyl)triazol-1-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 161138853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).