5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

C130H105F29N28O14 — CID 161206439

IUPAC5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)cc3C(F)(F)F)c2)no1.CC(C)(O)c1cc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)cc3C(F)(F)F)c2)no1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3nc(-c4cccc(F)c4)no3)cn2)c(C(F)(F)F)c1.CCC(c1ccc(C)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@@H](c1ccc(C(C)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@H](c1ccc(C(C)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1
InChIInChI=1S/2C23H18F5N5O2.C23H20F3N5O2.C22H15F6N5O2.C20H19F5N4O3.C19H15F5N4O3/c2*1-13(16-7-6-14(22(2,24)25)9-17(16)23(26,27)28)33-12-15(11-30-33)31-21(34)19-10-20(35-32-19)18-5-3-4-8-29-18;1-3-20(16-8-7-14(2)10-17(16)23(24,25)26)31-13-15(12-28-31)29-22(32)19-11-21(33-30-19)18-6-4-5-9-27-18;1-21(24,25)14-6-5-13(17(8-14)22(26,27)28)10-33-11-16(9-29-33)30-19(34)20-31-18(32-35-20)12-3-2-4-15(23)7-12;1-18(2,31)16-7-15(28-32-16)17(30)27-13-8-26-29(10-13)9-11-4-5-12(19(3,21)22)6-14(11)20(23,24)25;1-10(29)16-6-15(27-31-16)17(30)26-13-7-25-28(9-13)8-11-3-4-12(18(2,20)21)5-14(11)19(22,23)24/h2*3-13H,1-2H3,(H,31,34);4-13,20H,3H2,1-2H3,(H,29,32);2-9,11H,10H2,1H3,(H,30,34);4-8,10,31H,9H2,1-3H3,(H,27,30);3-7,9H,8H2,1-2H3,(H,26,30)/t2*13-;;;;/m10..../s1
InChIKeyUVQVVYDELWUHFB-DQSIVEHISA-N
MW2834.39 g/mol
LogP31.90
Rot. Bonds36

About 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide

5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 161206439) has the molecular formula C130H105F29N28O14 and a molecular weight of 2834.39 g/mol. Its IUPAC name is 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
PubChem CID161206439
Molecular FormulaC130H105F29N28O14
Molecular Weight2834.39 g/mol
Exact Mass2832.79
IUPAC Name5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)cc3C(F)(F)F)c2)no1.CC(C)(O)c1cc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)cc3C(F)(F)F)c2)no1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3nc(-c4cccc(F)c4)no3)cn2)c(C(F)(F)F)c1.CCC(c1ccc(C)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@@H](c1ccc(C(C)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@H](c1ccc(C(C)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1
InChIInChI=1S/2C23H18F5N5O2.C23H20F3N5O2.C22H15F6N5O2.C20H19F5N4O3.C19H15F5N4O3/c2*1-13(16-7-6-14(22(2,24)25)9-17(16)23(26,27)28)33-12-15(11-30-33)31-21(34)19-10-20(35-32-19)18-5-3-4-8-29-18;1-3-20(16-8-7-14(2)10-17(16)23(24,25)26)31-13-15(12-28-31)29-22(32)19-11-21(33-30-19)18-6-4-5-9-27-18;1-21(24,25)14-6-5-13(17(8-14)22(26,27)28)10-33-11-16(9-29-33)30-19(34)20-31-18(32-35-20)12-3-2-4-15(23)7-12;1-18(2,31)16-7-15(28-32-16)17(30)27-13-8-26-29(10-13)9-11-4-5-12(19(3,21)22)6-14(11)20(23,24)25;1-10(29)16-6-15(27-31-16)17(30)26-13-7-25-28(9-13)8-11-3-4-12(18(2,20)21)5-14(11)19(22,23)24/h2*3-13H,1-2H3,(H,31,34);4-13,20H,3H2,1-2H3,(H,29,32);2-9,11H,10H2,1H3,(H,30,34);4-8,10,31H,9H2,1-3H3,(H,27,30);3-7,9H,8H2,1-2H3,(H,26,30)/t2*13-;;;;/m10..../s1
InChIKeyUVQVVYDELWUHFB-DQSIVEHISA-N
XLogP31.90
TPSA526.56 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002834.39
LogP ≤ 531.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide 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-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1,2-oxazole-5-carboxamide;3-pyridin-2-yl-1,2-oxazole-5-carboxylic acid
CID 157989686
N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 158021807
1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-4-nitropyrazole;bis(1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-amine);N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 158055166
1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol;1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone;2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-4-nitro-2H-imidazole;1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;4-nitro-4H-pyrazole;5-pyridin-2-yl-1,2,5-oxadiazol-5-ium-3-carboxylic acid
CID 158407505
5-acetyl-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 158679326
1-Hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane
CID 160711925
4,4-Difluoro-3-hydroxy-3-[3-[4-[6-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-5-yl]-2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-4-yl]-3-pyridinyl]-6-[2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170378149
(3R)-4,4-difluoro-3-hydroxy-3-[3-[4-[6-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-5-yl]-2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)pyrimidin-4-yl]-3-pyridinyl]-6-[2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170573483

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide (CID 161206439) is 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is CC(=O)c1cc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)cc3C(F)(F)F)c2)no1.CC(C)(O)c1cc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)cc3C(F)(F)F)c2)no1.CC(F)(F)c1ccc(Cn2cc(NC(=O)c3nc(-c4cccc(F)c4)no3)cn2)c(C(F)(F)F)c1.CCC(c1ccc(C)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@@H](c1ccc(C(C)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.C[C@H](c1ccc(C(C)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccccn3)on2)cn1.
What is the InChIKey of 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is UVQVVYDELWUHFB-DQSIVEHISA-N. The full InChI is InChI=1S/2C23H18F5N5O2.C23H20F3N5O2.C22H15F6N5O2.C20H19F5N4O3.C19H15F5N4O3/c2*1-13(16-7-6-14(22(2,24)25)9-17(16)23(26,27)28)33-12-15(11-30-33)31-21(34)19-10-20(35-32-19)18-5-3-4-8-29-18;1-3-20(16-8-7-14(2)10-17(16)23(24,25)26)31-13-15(12-28-31)29-22(32)19-11-21(33-30-19)18-6-4-5-9-27-18;1-21(24,25)14-6-5-13(17(8-14)22(26,27)28)10-33-11-16(9-29-33)30-19(34)20-31-18(32-35-20)12-3-2-4-15(23)7-12;1-18(2,31)16-7-15(28-32-16)17(30)27-13-8-26-29(10-13)9-11-4-5-12(19(3,21)22)6-14(11)20(23,24)25;1-10(29)16-6-15(27-31-16)17(30)26-13-7-25-28(9-13)8-11-3-4-12(18(2,20)21)5-14(11)19(22,23)24/h2*3-13H,1-2H3,(H,31,34);4-13,20H,3H2,1-2H3,(H,29,32);2-9,11H,10H2,1H3,(H,30,34);4-8,10,31H,9H2,1-3H3,(H,27,30);3-7,9H,8H2,1-2H3,(H,26,30)/t2*13-;;;;/m10..../s1.
What are the key properties of 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide?
5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 2834.39 g/mol, XLogP of 31.90, 36 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide;N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(2-hydroxypropan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[1-[4-methyl-2-(trifluoromethyl)phenyl]propyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 161206439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).