5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C130H104F22N24O13S — CID 160728372

About 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 160728372) has the molecular formula C130H104F22N24O13S and a molecular weight of 2660.44 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 160728372
• Molecular Formula: C130H104F22N24O13S
• Molecular Weight: 2660.44 g/mol
• Exact Mass: 2658.76
• IUPAC Name: 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
• SMILES: CC(C)(C)c1cc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)cc3C(F)(F)F)c2)no1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(-c4ccc(F)cc4F)on3)cn2)c(C(F)(F)F)c1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(-c4cccs4)on3)cn2)c(C(F)(F)F)c1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3cncc(-c4cccnc4)c3)cn2)c(C(F)(F)F)c1.Cc1ccc(Cn2cnc(NC(=O)c3cc(-c4ccco4)on3)c2)c(C)c1.O=C(Cc1cnn(C2Cc3ccccc3C2)c1)c1cc(-c2ccco2)on1
• InChI: InChI=1S/C24H18F5N5O.C23H15F7N4O2.C21H15F5N4O2S.C21H21F5N4O2.C21H17N3O3.C20H18N4O3/c1-23(25,26)19-5-4-16(21(8-19)24(27,28)29)13-34-14-20(12-32-34)33-22(35)18-7-17(10-31-11-18)15-3-2-6-30-9-15;1-22(26,27)13-3-2-12(17(6-13)23(28,29)30)10-34-11-15(9-31-34)32-21(35)19-8-20(36-33-19)16-5-4-14(24)7-18(16)25;1-20(22,23)13-5-4-12(15(7-13)21(24,25)26)10-30-11-14(9-27-30)28-19(31)16-8-17(32-29-16)18-3-2-6-33-18;1-19(2,3)17-8-16(29-32-17)18(31)28-14-9-27-30(11-14)10-12-5-6-13(20(4,22)23)7-15(12)21(24,25)26;25-19(18-11-21(27-23-18)20-6-3-7-26-20)8-14-12-22-24(13-14)17-9-15-4-1-2-5-16(15)10-17;1-13-5-6-15(14(2)8-13)10-24-11-19(21-12-24)22-20(25)16-9-18(27-23-16)17-4-3-7-26-17/h2-12,14H,13H2,1H3,(H,33,35);2-9,11H,10H2,1H3,(H,32,35);2-9,11H,10H2,1H3,(H,28,31);5-9,11H,10H2,1-4H3,(H,28,31);1-7,11-13,17H,8-10H2;3-9,11-12H,10H2,1-2H3,(H,22,25)
• InChIKey: RTZUJIZWKGHCLS-UHFFFAOYSA-N
• XLogP: 31.59
• TPSA: 451.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.44
LogP ≤ 5	31.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 160728372) is 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)cc3C(F)(F)F)c2)no1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(-c4ccc(F)cc4F)on3)cn2)c(C(F)(F)F)c1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(-c4cccs4)on3)cn2)c(C(F)(F)F)c1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3cncc(-c4cccnc4)c3)cn2)c(C(F)(F)F)c1.Cc1ccc(Cn2cnc(NC(=O)c3cc(-c4ccco4)on3)c2)c(C)c1.O=C(Cc1cnn(C2Cc3ccccc3C2)c1)c1cc(-c2ccco2)on1.

What is the InChIKey of 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?

The InChIKey is RTZUJIZWKGHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N5O.C23H15F7N4O2.C21H15F5N4O2S.C21H21F5N4O2.C21H17N3O3.C20H18N4O3/c1-23(25,26)19-5-4-16(21(8-19)24(27,28)29)13-34-14-20(12-32-34)33-22(35)18-7-17(10-31-11-18)15-3-2-6-30-9-15;1-22(26,27)13-3-2-12(17(6-13)23(28,29)30)10-34-11-15(9-31-34)32-21(35)19-8-20(36-33-19)16-5-4-14(24)7-18(16)25;1-20(22,23)13-5-4-12(15(7-13)21(24,25)26)10-30-11-14(9-27-30)28-19(31)16-8-17(32-29-16)18-3-2-6-33-18;1-19(2,3)17-8-16(29-32-17)18(31)28-14-9-27-30(11-14)10-12-5-6-13(20(4,22)23)7-15(12)21(24,25)26;25-19(18-11-21(27-23-18)20-6-3-7-26-20)8-14-12-22-24(13-14)17-9-15-4-1-2-5-16(15)10-17;1-13-5-6-15(14(2)8-13)10-24-11-19(21-12-24)22-20(25)16-9-18(27-23-16)17-4-3-7-26-17/h2-12,14H,13H2,1H3,(H,33,35);2-9,11H,10H2,1H3,(H,32,35);2-9,11H,10H2,1H3,(H,28,31);5-9,11H,10H2,1-4H3,(H,28,31);1-7,11-13,17H,8-10H2;3-9,11-12H,10H2,1-2H3,(H,22,25).

What are the key properties of 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?

5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 2660.44 g/mol, XLogP of 31.59, 33 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-pyridin-3-ylpyridine-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;2-[1-(2,3-dihydro-1H-inden-2-yl)pyrazol-4-yl]-1-[5-(furan-2-yl)-1,2-oxazol-3-yl]ethanone;N-[1-[(2,4-dimethylphenyl)methyl]imidazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160728372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).