2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C202H169F28N45O17S2 — CID 157242465

IUPAC2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESC=S(C)(=O)CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5ccccc45)nc3)cc2F)no1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.O=C(Cc1ccc(-c2cnc(CC3=NCC=C3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3ccccc3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3cnc4cnccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3nccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H26FN5O2.C27H26F4N6O3S.C26H19F4N7O2.C26H20F4N4O2.C24H20F4N6O2.C24H19F4N5O2.C24H22F3N7O2.C23H17F4N5O2S/c1-28(2,3)24-15-26(33-36-24)32-27(35)14-19-8-7-18(12-22(19)29)21-16-30-25(31-17-21)13-20-9-11-34-10-5-4-6-23(20)34;1-41(2,39)8-7-37-16-17(13-34-37)9-23-32-14-20(15-33-23)18-3-4-19(21(28)10-18)11-25(38)35-24-12-22(40-36-24)26(5-6-26)27(29,30)31;27-19-7-15(17-11-32-21(33-12-17)9-18-13-34-23-14-31-5-6-37(18)23)1-2-16(19)8-24(38)35-22-10-20(39-36-22)25(3-4-25)26(28,29)30;27-20-11-17(19-14-31-22(32-15-19)10-16-4-2-1-3-5-16)6-7-18(20)12-24(35)33-23-13-21(36-34-23)25(8-9-25)26(28,29)30;1-34-13-14(10-31-34)6-20-29-11-17(12-30-20)15-2-3-16(18(25)7-15)8-22(35)32-21-9-19(36-33-21)23(4-5-23)24(26,27)28;25-18-8-14(16-12-30-20(31-13-16)10-17-2-1-7-29-17)3-4-15(18)9-22(34)32-21-11-19(35-33-21)23(5-6-23)24(26,27)28;1-23(26,27)24(5-6-24)19-9-20(33-36-19)32-21(35)8-14-3-4-17(18(25)7-14)15-10-28-22(29-11-15)31-16-12-30-34(2)13-16;24-16-7-13(15-11-29-18(30-12-15)10-21-28-5-6-35-21)1-2-14(16)8-20(33)31-19-9-17(34-32-19)22(3-4-22)23(25,26)27/h4-12,15-17H,13-14H2,1-3H3,(H,32,33,35);3-4,10,12-16H,1,5-9,11H2,2H3,(H,35,36,38);1-2,5-7,10-14H,3-4,8-9H2,(H,35,36,38);1-7,11,13-15H,8-10,12H2,(H,33,34,35);2-3,7,9-13H,4-6,8H2,1H3,(H,32,33,35);1-4,8,11-13H,5-7,9-10H2,(H,32,33,34);3-4,7,9-13H,5-6,8H2,1-2H3,(H,28,29,31)(H,32,33,35);1-2,5-7,9,11-12H,3-4,8,10H2,(H,31,32,33)
InChIKeyAVJDJIFBAYPMKC-UHFFFAOYSA-N
MW4094.95 g/mol
LogP38.77
Rot. Bonds59

About 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 157242465) has the molecular formula C202H169F28N45O17S2 and a molecular weight of 4094.95 g/mol. Its IUPAC name is 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID157242465
Molecular FormulaC202H169F28N45O17S2
Molecular Weight4094.95 g/mol
Exact Mass4092.27
IUPAC Name2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESC=S(C)(=O)CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5ccccc45)nc3)cc2F)no1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.O=C(Cc1ccc(-c2cnc(CC3=NCC=C3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3ccccc3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3cnc4cnccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3nccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H26FN5O2.C27H26F4N6O3S.C26H19F4N7O2.C26H20F4N4O2.C24H20F4N6O2.C24H19F4N5O2.C24H22F3N7O2.C23H17F4N5O2S/c1-28(2,3)24-15-26(33-36-24)32-27(35)14-19-8-7-18(12-22(19)29)21-16-30-25(31-17-21)13-20-9-11-34-10-5-4-6-23(20)34;1-41(2,39)8-7-37-16-17(13-34-37)9-23-32-14-20(15-33-23)18-3-4-19(21(28)10-18)11-25(38)35-24-12-22(40-36-24)26(5-6-26)27(29,30)31;27-19-7-15(17-11-32-21(33-12-17)9-18-13-34-23-14-31-5-6-37(18)23)1-2-16(19)8-24(38)35-22-10-20(39-36-22)25(3-4-25)26(28,29)30;27-20-11-17(19-14-31-22(32-15-19)10-16-4-2-1-3-5-16)6-7-18(20)12-24(35)33-23-13-21(36-34-23)25(8-9-25)26(28,29)30;1-34-13-14(10-31-34)6-20-29-11-17(12-30-20)15-2-3-16(18(25)7-15)8-22(35)32-21-9-19(36-33-21)23(4-5-23)24(26,27)28;25-18-8-14(16-12-30-20(31-13-16)10-17-2-1-7-29-17)3-4-15(18)9-22(34)32-21-11-19(35-33-21)23(5-6-23)24(26,27)28;1-23(26,27)24(5-6-24)19-9-20(33-36-19)32-21(35)8-14-3-4-17(18(25)7-14)15-10-28-22(29-11-15)31-16-12-30-34(2)13-16;24-16-7-13(15-11-29-18(30-12-15)10-21-28-5-6-35-21)1-2-14(16)8-20(33)31-19-9-17(34-32-19)22(3-4-22)23(25,26)27/h4-12,15-17H,13-14H2,1-3H3,(H,32,33,35);3-4,10,12-16H,1,5-9,11H2,2H3,(H,35,36,38);1-2,5-7,10-14H,3-4,8-9H2,(H,35,36,38);1-7,11,13-15H,8-10,12H2,(H,33,34,35);2-3,7,9-13H,4-6,8H2,1H3,(H,32,33,35);1-4,8,11-13H,5-7,9-10H2,(H,32,33,34);3-4,7,9-13H,5-6,8H2,1-2H3,(H,28,29,31)(H,32,33,35);1-2,5-7,9,11-12H,3-4,8,10H2,(H,31,32,33)
InChIKeyAVJDJIFBAYPMKC-UHFFFAOYSA-N
XLogP38.77
TPSA789.69 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds59
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004094.95
LogP ≤ 538.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

Analyze 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 157242465) is 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is C=S(C)(=O)CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5ccccc45)nc3)cc2F)no1.Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(C)(F)F)CC5)on4)cc3F)cn2)cn1.O=C(Cc1ccc(-c2cnc(CC3=NCC=C3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3ccccc3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3cnc4cnccn34)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.O=C(Cc1ccc(-c2cnc(Cc3nccs3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is AVJDJIFBAYPMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2.C27H26F4N6O3S.C26H19F4N7O2.C26H20F4N4O2.C24H20F4N6O2.C24H19F4N5O2.C24H22F3N7O2.C23H17F4N5O2S/c1-28(2,3)24-15-26(33-36-24)32-27(35)14-19-8-7-18(12-22(19)29)21-16-30-25(31-17-21)13-20-9-11-34-10-5-4-6-23(20)34;1-41(2,39)8-7-37-16-17(13-34-37)9-23-32-14-20(15-33-23)18-3-4-19(21(28)10-18)11-25(38)35-24-12-22(40-36-24)26(5-6-26)27(29,30)31;27-19-7-15(17-11-32-21(33-12-17)9-18-13-34-23-14-31-5-6-37(18)23)1-2-16(19)8-24(38)35-22-10-20(39-36-22)25(3-4-25)26(28,29)30;27-20-11-17(19-14-31-22(32-15-19)10-16-4-2-1-3-5-16)6-7-18(20)12-24(35)33-23-13-21(36-34-23)25(8-9-25)26(28,29)30;1-34-13-14(10-31-34)6-20-29-11-17(12-30-20)15-2-3-16(18(25)7-15)8-22(35)32-21-9-19(36-33-21)23(4-5-23)24(26,27)28;25-18-8-14(16-12-30-20(31-13-16)10-17-2-1-7-29-17)3-4-15(18)9-22(34)32-21-11-19(35-33-21)23(5-6-23)24(26,27)28;1-23(26,27)24(5-6-24)19-9-20(33-36-19)32-21(35)8-14-3-4-17(18(25)7-14)15-10-28-22(29-11-15)31-16-12-30-34(2)13-16;24-16-7-13(15-11-29-18(30-12-15)10-21-28-5-6-35-21)1-2-14(16)8-20(33)31-19-9-17(34-32-19)22(3-4-22)23(25,26)27/h4-12,15-17H,13-14H2,1-3H3,(H,32,33,35);3-4,10,12-16H,1,5-9,11H2,2H3,(H,35,36,38);1-2,5-7,10-14H,3-4,8-9H2,(H,35,36,38);1-7,11,13-15H,8-10,12H2,(H,33,34,35);2-3,7,9-13H,4-6,8H2,1H3,(H,32,33,35);1-4,8,11-13H,5-7,9-10H2,(H,32,33,34);3-4,7,9-13H,5-6,8H2,1-2H3,(H,28,29,31)(H,32,33,35);1-2,5-7,9,11-12H,3-4,8,10H2,(H,31,32,33).
What are the key properties of 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 4094.95 g/mol, XLogP of 38.77, 59 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzylpyrimidin-5-yl)-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[2-(indolizin-1-ylmethyl)pyrimidin-5-yl]phenyl]acetamide;N-[5-[1-(1,1-difluoroethyl)cyclopropyl]-1,2-oxazol-3-yl]-2-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide;2-[2-fluoro-4-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(2H-pyrrol-5-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-(1,3-thiazol-2-ylmethyl)pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 157242465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).