2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C188H176F27N39O19S — CID 157466014

IUPAC2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESC=C(C)OCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)cc3)cn2)c(C)n1.CC(C)(c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5c4OCC5)nc3)cc2F)no1)C(F)(F)F.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1CC.COC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CSc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1C[C@@H](C)O.Cc1nn(C[C@@H](C)O)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
InChIInChI=1S/C29H29F3N6O3.C28H28F4N6O2.C28H27F4N5O3.C27H26F4N6O3.C26H23F4N5O3.C25H22F4N6O2S.C25H21F4N5O3/c1-18(2)40-11-10-38-17-22(19(3)36-38)13-25-33-15-23(16-34-25)21-6-4-20(5-7-21)12-27(39)35-26-14-24(41-37-26)28(8-9-28)29(30,31)32;1-3-9-38-22(4-2)19(16-35-38)11-24-33-14-20(15-34-24)17-5-6-18(21(29)10-17)12-26(39)36-25-13-23(40-37-25)27(7-8-27)28(30,31)32;1-16(38)15-37-8-5-18(17(37)2)10-24-33-13-21(14-34-24)19-3-4-20(22(29)9-19)11-26(39)35-25-12-23(40-36-25)27(6-7-27)28(30,31)32;1-15(38)13-37-14-19(16(2)35-37)8-23-32-11-20(12-33-23)17-3-4-18(21(28)7-17)9-25(39)34-24-10-22(40-36-24)26(5-6-26)27(29,30)31;1-25(2,26(28,29)30)20-12-22(34-38-20)33-23(36)11-16-4-3-15(9-19(16)27)18-13-31-21(32-14-18)10-17-5-6-35-7-8-37-24(17)35;1-35-13-16(23(33-35)38-2)8-20-30-11-17(12-31-20)14-3-4-15(18(26)7-14)9-22(36)32-21-10-19(37-34-21)24(5-6-24)25(27,28)29;1-36-23-16(4-7-30-23)9-20-31-12-17(13-32-20)14-2-3-15(18(26)8-14)10-22(35)33-21-11-19(37-34-21)24(5-6-24)25(27,28)29/h4-7,14-17H,1,8-13H2,2-3H3,(H,35,37,39);5-6,10,13-16H,3-4,7-9,11-12H2,1-2H3,(H,36,37,39);3-5,8-9,12-14,16,38H,6-7,10-11,15H2,1-2H3,(H,35,36,39);3-4,7,10-12,14-15,38H,5-6,8-9,13H2,1-2H3,(H,34,36,39);3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,33,34,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36);2-4,8,11-13H,5-7,9-10H2,1H3,(H,33,34,35)/t;;16-;15-;;;/m..11.../s1
InChIKeyBUMJQFOYZWWJPS-OSPGCPBVSA-N
MW3830.74 g/mol
LogP35.75
Rot. Bonds61

About 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 157466014) has the molecular formula C188H176F27N39O19S and a molecular weight of 3830.74 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID157466014
Molecular FormulaC188H176F27N39O19S
Molecular Weight3830.74 g/mol
Exact Mass3828.33
IUPAC Name2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESC=C(C)OCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)cc3)cn2)c(C)n1.CC(C)(c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5c4OCC5)nc3)cc2F)no1)C(F)(F)F.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1CC.COC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CSc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1C[C@@H](C)O.Cc1nn(C[C@@H](C)O)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
InChIInChI=1S/C29H29F3N6O3.C28H28F4N6O2.C28H27F4N5O3.C27H26F4N6O3.C26H23F4N5O3.C25H22F4N6O2S.C25H21F4N5O3/c1-18(2)40-11-10-38-17-22(19(3)36-38)13-25-33-15-23(16-34-25)21-6-4-20(5-7-21)12-27(39)35-26-14-24(41-37-26)28(8-9-28)29(30,31)32;1-3-9-38-22(4-2)19(16-35-38)11-24-33-14-20(15-34-24)17-5-6-18(21(29)10-17)12-26(39)36-25-13-23(40-37-25)27(7-8-27)28(30,31)32;1-16(38)15-37-8-5-18(17(37)2)10-24-33-13-21(14-34-24)19-3-4-20(22(29)9-19)11-26(39)35-25-12-23(40-36-25)27(6-7-27)28(30,31)32;1-15(38)13-37-14-19(16(2)35-37)8-23-32-11-20(12-33-23)17-3-4-18(21(28)7-17)9-25(39)34-24-10-22(40-36-24)26(5-6-26)27(29,30)31;1-25(2,26(28,29)30)20-12-22(34-38-20)33-23(36)11-16-4-3-15(9-19(16)27)18-13-31-21(32-14-18)10-17-5-6-35-7-8-37-24(17)35;1-35-13-16(23(33-35)38-2)8-20-30-11-17(12-31-20)14-3-4-15(18(26)7-14)9-22(36)32-21-10-19(37-34-21)24(5-6-24)25(27,28)29;1-36-23-16(4-7-30-23)9-20-31-12-17(13-32-20)14-2-3-15(18(26)8-14)10-22(35)33-21-11-19(37-34-21)24(5-6-24)25(27,28)29/h4-7,14-17H,1,8-13H2,2-3H3,(H,35,37,39);5-6,10,13-16H,3-4,7-9,11-12H2,1-2H3,(H,36,37,39);3-5,8-9,12-14,16,38H,6-7,10-11,15H2,1-2H3,(H,35,36,39);3-4,7,10-12,14-15,38H,5-6,8-9,13H2,1-2H3,(H,34,36,39);3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,33,34,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36);2-4,8,11-13H,5-7,9-10H2,1H3,(H,33,34,35)/t;;16-;15-;;;/m..11.../s1
InChIKeyBUMJQFOYZWWJPS-OSPGCPBVSA-N
XLogP35.75
TPSA728.02 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds61
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003830.74
LogP ≤ 535.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Analyze 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]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-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 157466014) is 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is C=C(C)OCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)cc3)cn2)c(C)n1.CC(C)(c1cc(NC(=O)Cc2ccc(-c3cnc(Cc4ccn5c4OCC5)nc3)cc2F)no1)C(F)(F)F.CCCn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1CC.COC1=NCC=C1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.CSc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cc1c(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1C[C@@H](C)O.Cc1nn(C[C@@H](C)O)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.
What is the InChIKey of 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is BUMJQFOYZWWJPS-OSPGCPBVSA-N. The full InChI is InChI=1S/C29H29F3N6O3.C28H28F4N6O2.C28H27F4N5O3.C27H26F4N6O3.C26H23F4N5O3.C25H22F4N6O2S.C25H21F4N5O3/c1-18(2)40-11-10-38-17-22(19(3)36-38)13-25-33-15-23(16-34-25)21-6-4-20(5-7-21)12-27(39)35-26-14-24(41-37-26)28(8-9-28)29(30,31)32;1-3-9-38-22(4-2)19(16-35-38)11-24-33-14-20(15-34-24)17-5-6-18(21(29)10-17)12-26(39)36-25-13-23(40-37-25)27(7-8-27)28(30,31)32;1-16(38)15-37-8-5-18(17(37)2)10-24-33-13-21(14-34-24)19-3-4-20(22(29)9-19)11-26(39)35-25-12-23(40-36-25)27(6-7-27)28(30,31)32;1-15(38)13-37-14-19(16(2)35-37)8-23-32-11-20(12-33-23)17-3-4-18(21(28)7-17)9-25(39)34-24-10-22(40-36-24)26(5-6-26)27(29,30)31;1-25(2,26(28,29)30)20-12-22(34-38-20)33-23(36)11-16-4-3-15(9-19(16)27)18-13-31-21(32-14-18)10-17-5-6-35-7-8-37-24(17)35;1-35-13-16(23(33-35)38-2)8-20-30-11-17(12-31-20)14-3-4-15(18(26)7-14)9-22(36)32-21-10-19(37-34-21)24(5-6-24)25(27,28)29;1-36-23-16(4-7-30-23)9-20-31-12-17(13-32-20)14-2-3-15(18(26)8-14)10-22(35)33-21-11-19(37-34-21)24(5-6-24)25(27,28)29/h4-7,14-17H,1,8-13H2,2-3H3,(H,35,37,39);5-6,10,13-16H,3-4,7-9,11-12H2,1-2H3,(H,36,37,39);3-5,8-9,12-14,16,38H,6-7,10-11,15H2,1-2H3,(H,35,36,39);3-4,7,10-12,14-15,38H,5-6,8-9,13H2,1-2H3,(H,34,36,39);3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,33,34,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36);2-4,8,11-13H,5-7,9-10H2,1H3,(H,33,34,35)/t;;16-;15-;;;/m..11.../s1.
What are the key properties of 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 3830.74 g/mol, XLogP of 35.75, 61 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dihydropyrrolo[2,1-b][1,3]oxazol-7-ylmethyl)pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(5-ethyl-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[(2R)-2-hydroxypropyl]-2-methylpyrrol-3-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(5-methoxy-2H-pyrrol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methyl-3-methylsulfanylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[3-methyl-1-(2-prop-1-en-2-yloxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 157466014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).