2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile

C304H284F37N43O17 — CID 159220630

IUPAC2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile
SMILESC=C(CCC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(-c2nc3cc(C#N)cc(C(C)C)c3o2)cc1.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(C)(O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(F)(F)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(F)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(CNCC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12.[C-]#[N+]c1cc(C(C)F)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1.[C-]#[N+]c1cc(C(F)(F)F)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1.[C-]#[N+]c1cc(OC)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1
InChIInChI=1S/C32H33F3N4O2.C32H31F3N4O.C31H29F5N4O.C31H30F4N4O.C31H31F3N4O2.C31H29F3N4O2.C31H31F3N4O.C29H25F4N5O2.C28H21F6N5O2.C28H24F3N5O3/c1-20(2)26-16-22(18-36)17-27-29(26)41-30(38-27)23-4-6-24(7-5-23)31(3,40)13-10-21-11-14-39(15-12-21)28-9-8-25(19-37-28)32(33,34)35;1-20(2)27-16-23(18-36)17-28-30(27)40-31(38-28)25-8-6-24(7-9-25)21(3)4-5-22-12-14-39(15-13-22)29-11-10-26(19-37-29)32(33,34)35;1-19(2)25-15-21(17-37)16-26-28(25)41-29(39-26)22-3-5-23(6-4-22)30(32,33)12-9-20-10-13-40(14-11-20)27-8-7-24(18-38-27)31(34,35)36;1-19(2)25-15-21(17-36)16-27-29(25)40-30(38-27)23-6-4-22(5-7-23)26(32)9-3-20-11-13-39(14-12-20)28-10-8-24(18-37-28)31(33,34)35;2*1-19(2)25-15-21(17-35)16-26-29(25)40-30(37-26)23-6-4-22(5-7-23)27(39)9-3-20-11-13-38(14-12-20)28-10-8-24(18-36-28)31(32,33)34;1-20(2)27-15-23(17-35)16-28-29(27)39-30(37-28)24-5-3-21(4-6-24)18-36-19-22-11-13-38(14-12-22)26-9-7-25(8-10-26)31(32,33)34;1-18(30)24-15-22(34-2)16-25-27(24)40-28(36-25)19-3-7-21(8-4-19)35-26(39)17-37-11-13-38(14-12-37)23-9-5-20(6-10-23)29(31,32)33;1-35-20-14-22(28(32,33)34)25-23(15-20)37-26(41-25)17-2-6-19(7-3-17)36-24(40)16-38-10-12-39(13-11-38)21-8-4-18(5-9-21)27(29,30)31;1-32-21-15-23-26(24(16-21)38-2)39-27(34-23)18-3-7-20(8-4-18)33-25(37)17-35-11-13-36(14-12-35)22-9-5-19(6-10-22)28(29,30)31/h4-9,16-17,19-21,40H,10-15H2,1-3H3;6-11,16-17,19-20,22H,3-5,12-15H2,1-2H3;3-8,15-16,18-20H,9-14H2,1-2H3;4-8,10,15-16,18-20,26H,3,9,11-14H2,1-2H3;4-8,10,15-16,18-20,27,39H,3,9,11-14H2,1-2H3;4-8,10,15-16,18-20H,3,9,11-14H2,1-2H3;3-10,15-16,20,22,36H,11-14,18-19H2,1-2H3;3-10,15-16,18H,11-14,17H2,1H3,(H,35,39);2-9,14-15H,10-13,16H2,(H,36,40);3-10,15-16H,11-14,17H2,2H3,(H,33,37)
InChIKeyKRQCZJLTDOBGMF-UHFFFAOYSA-N
MW5514.83 g/mol
LogP76.19
Rot. Bonds66

About 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile

2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile (PubChem CID 159220630) has the molecular formula C304H284F37N43O17 and a molecular weight of 5514.83 g/mol. Its IUPAC name is 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile.

Molecular Properties

Compound Name2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile
PubChem CID159220630
Molecular FormulaC304H284F37N43O17
Molecular Weight5514.83 g/mol
Exact Mass5511.21
IUPAC Name2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile
SMILESC=C(CCC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(-c2nc3cc(C#N)cc(C(C)C)c3o2)cc1.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(C)(O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(F)(F)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(F)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(CNCC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12.[C-]#[N+]c1cc(C(C)F)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1.[C-]#[N+]c1cc(C(F)(F)F)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1.[C-]#[N+]c1cc(OC)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1
InChIInChI=1S/C32H33F3N4O2.C32H31F3N4O.C31H29F5N4O.C31H30F4N4O.C31H31F3N4O2.C31H29F3N4O2.C31H31F3N4O.C29H25F4N5O2.C28H21F6N5O2.C28H24F3N5O3/c1-20(2)26-16-22(18-36)17-27-29(26)41-30(38-27)23-4-6-24(7-5-23)31(3,40)13-10-21-11-14-39(15-12-21)28-9-8-25(19-37-28)32(33,34)35;1-20(2)27-16-23(18-36)17-28-30(27)40-31(38-28)25-8-6-24(7-9-25)21(3)4-5-22-12-14-39(15-13-22)29-11-10-26(19-37-29)32(33,34)35;1-19(2)25-15-21(17-37)16-26-28(25)41-29(39-26)22-3-5-23(6-4-22)30(32,33)12-9-20-10-13-40(14-11-20)27-8-7-24(18-38-27)31(34,35)36;1-19(2)25-15-21(17-36)16-27-29(25)40-30(38-27)23-6-4-22(5-7-23)26(32)9-3-20-11-13-39(14-12-20)28-10-8-24(18-37-28)31(33,34)35;2*1-19(2)25-15-21(17-35)16-26-29(25)40-30(37-26)23-6-4-22(5-7-23)27(39)9-3-20-11-13-38(14-12-20)28-10-8-24(18-36-28)31(32,33)34;1-20(2)27-15-23(17-35)16-28-29(27)39-30(37-28)24-5-3-21(4-6-24)18-36-19-22-11-13-38(14-12-22)26-9-7-25(8-10-26)31(32,33)34;1-18(30)24-15-22(34-2)16-25-27(24)40-28(36-25)19-3-7-21(8-4-19)35-26(39)17-37-11-13-38(14-12-37)23-9-5-20(6-10-23)29(31,32)33;1-35-20-14-22(28(32,33)34)25-23(15-20)37-26(41-25)17-2-6-19(7-3-17)36-24(40)16-38-10-12-39(13-11-38)21-8-4-18(5-9-21)27(29,30)31;1-32-21-15-23-26(24(16-21)38-2)39-27(34-23)18-3-7-20(8-4-18)33-25(37)17-35-11-13-36(14-12-35)22-9-5-19(6-10-22)28(29,30)31/h4-9,16-17,19-21,40H,10-15H2,1-3H3;6-11,16-17,19-20,22H,3-5,12-15H2,1-2H3;3-8,15-16,18-20H,9-14H2,1-2H3;4-8,10,15-16,18-20,26H,3,9,11-14H2,1-2H3;4-8,10,15-16,18-20,27,39H,3,9,11-14H2,1-2H3;4-8,10,15-16,18-20H,3,9,11-14H2,1-2H3;3-10,15-16,20,22,36H,11-14,18-19H2,1-2H3;3-10,15-16,18H,11-14,17H2,1H3,(H,35,39);2-9,14-15H,10-13,16H2,(H,36,40);3-10,15-16H,11-14,17H2,2H3,(H,33,37)
InChIKeyKRQCZJLTDOBGMF-UHFFFAOYSA-N
XLogP76.19
TPSA725.46 Ų
H-Bond Donors6
H-Bond Acceptors54
Rotatable Bonds66
Heavy Atoms401
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005514.83
LogP ≤ 576.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1054

Analyze 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile?
The IUPAC name of 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile (CID 159220630) is 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile.
What is the SMILES notation for 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile?
The canonical SMILES for 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile is C=C(CCC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(-c2nc3cc(C#N)cc(C(C)C)c3o2)cc1.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(C)(O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(F)(F)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(F)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(O)CCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12.CC(C)c1cc(C#N)cc2nc(-c3ccc(CNCC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12.[C-]#[N+]c1cc(C(C)F)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1.[C-]#[N+]c1cc(C(F)(F)F)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1.[C-]#[N+]c1cc(OC)c2oc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)nc2c1.
What is the InChIKey of 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile?
The InChIKey is KRQCZJLTDOBGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N4O2.C32H31F3N4O.C31H29F5N4O.C31H30F4N4O.C31H31F3N4O2.C31H29F3N4O2.C31H31F3N4O.C29H25F4N5O2.C28H21F6N5O2.C28H24F3N5O3/c1-20(2)26-16-22(18-36)17-27-29(26)41-30(38-27)23-4-6-24(7-5-23)31(3,40)13-10-21-11-14-39(15-12-21)28-9-8-25(19-37-28)32(33,34)35;1-20(2)27-16-23(18-36)17-28-30(27)40-31(38-28)25-8-6-24(7-9-25)21(3)4-5-22-12-14-39(15-13-22)29-11-10-26(19-37-29)32(33,34)35;1-19(2)25-15-21(17-37)16-26-28(25)41-29(39-26)22-3-5-23(6-4-22)30(32,33)12-9-20-10-13-40(14-11-20)27-8-7-24(18-38-27)31(34,35)36;1-19(2)25-15-21(17-36)16-27-29(25)40-30(38-27)23-6-4-22(5-7-23)26(32)9-3-20-11-13-39(14-12-20)28-10-8-24(18-37-28)31(33,34)35;2*1-19(2)25-15-21(17-35)16-26-29(25)40-30(37-26)23-6-4-22(5-7-23)27(39)9-3-20-11-13-38(14-12-20)28-10-8-24(18-36-28)31(32,33)34;1-20(2)27-15-23(17-35)16-28-29(27)39-30(37-28)24-5-3-21(4-6-24)18-36-19-22-11-13-38(14-12-22)26-9-7-25(8-10-26)31(32,33)34;1-18(30)24-15-22(34-2)16-25-27(24)40-28(36-25)19-3-7-21(8-4-19)35-26(39)17-37-11-13-38(14-12-37)23-9-5-20(6-10-23)29(31,32)33;1-35-20-14-22(28(32,33)34)25-23(15-20)37-26(41-25)17-2-6-19(7-3-17)36-24(40)16-38-10-12-39(13-11-38)21-8-4-18(5-9-21)27(29,30)31;1-32-21-15-23-26(24(16-21)38-2)39-27(34-23)18-3-7-20(8-4-18)33-25(37)17-35-11-13-36(14-12-35)22-9-5-19(6-10-22)28(29,30)31/h4-9,16-17,19-21,40H,10-15H2,1-3H3;6-11,16-17,19-20,22H,3-5,12-15H2,1-2H3;3-8,15-16,18-20H,9-14H2,1-2H3;4-8,10,15-16,18-20,26H,3,9,11-14H2,1-2H3;4-8,10,15-16,18-20,27,39H,3,9,11-14H2,1-2H3;4-8,10,15-16,18-20H,3,9,11-14H2,1-2H3;3-10,15-16,20,22,36H,11-14,18-19H2,1-2H3;3-10,15-16,18H,11-14,17H2,1H3,(H,35,39);2-9,14-15H,10-13,16H2,(H,36,40);3-10,15-16H,11-14,17H2,2H3,(H,33,37).
What are the key properties of 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile?
2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile has a molecular weight of 5514.83 g/mol, XLogP of 76.19, 66 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1-difluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-[7-(1-fluoroethyl)-5-isocyano-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;2-[4-[1-fluoro-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[2-hydroxy-4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butan-2-yl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;2-[4-[1-hydroxy-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propyl]phenyl]-7-propan-2-yl-1,3-benzoxazole-5-carbonitrile;N-[4-(5-isocyano-7-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;N-[4-[5-isocyano-7-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;7-propan-2-yl-2-[4-[[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methylamino]methyl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]but-1-en-2-yl]phenyl]-1,3-benzoxazole-5-carbonitrile;7-propan-2-yl-2-[4-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanoyl]phenyl]-1,3-benzoxazole-5-carbonitrile is sourced from PubChem (CID 159220630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).