5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide

C121H104F18N24O16 — CID 157067687

IUPAC5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1c(F)ccc(CNC(=O)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)oc2[C@H](C)N)c1F.COc1ccc(-c2nc(C(=O)N3Cc4ccc(C)cc4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)N3Cc4cccc(F)c4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)N3Cc4cnn(C)c4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)NCc3ncccn3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C26H23F3N4O3.C25H21F5N4O4.C25H20F4N4O3.C23H21F3N6O3.C22H19F3N6O3/c1-13-4-5-15-11-33(12-16(15)10-13)25(34)22-23(14(2)30)36-24(32-22)18-6-8-19(35-3)21-17(18)7-9-20(31-21)26(27,28)29;1-11(31)21-20(23(35)32-10-12-4-7-15(26)22(37-3)18(12)27)34-24(38-21)14-5-8-16(36-2)19-13(14)6-9-17(33-19)25(28,29)30;1-12(30)22-21(24(34)33-10-13-4-3-5-17(26)16(13)11-33)32-23(36-22)15-6-8-18(35-2)20-14(15)7-9-19(31-20)25(27,28)29;1-11(27)20-19(22(33)32-9-12-8-28-31(2)15(12)10-32)30-21(35-20)14-4-6-16(34-3)18-13(14)5-7-17(29-18)23(24,25)26;1-11(26)19-18(20(32)29-10-16-27-8-3-9-28-16)31-21(34-19)13-4-6-14(33-2)17-12(13)5-7-15(30-17)22(23,24)25/h4-10,14H,11-12,30H2,1-3H3;4-9,11H,10,31H2,1-3H3,(H,32,35);3-9,12H,10-11,30H2,1-2H3;4-8,11H,9-10,27H2,1-3H3;3-9,11H,10,26H2,1-2H3,(H,29,32)/t14-;11-;12-;2*11-/m00000/s1
InChIKeyACBJUTUDINWEKP-IIENGAMVSA-N
MW2492.28 g/mol
LogP23.27
Rot. Bonds25

About 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide

5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 157067687) has the molecular formula C121H104F18N24O16 and a molecular weight of 2492.28 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID157067687
Molecular FormulaC121H104F18N24O16
Molecular Weight2492.28 g/mol
Exact Mass2490.78
IUPAC Name5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1c(F)ccc(CNC(=O)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)oc2[C@H](C)N)c1F.COc1ccc(-c2nc(C(=O)N3Cc4ccc(C)cc4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)N3Cc4cccc(F)c4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)N3Cc4cnn(C)c4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)NCc3ncccn3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C26H23F3N4O3.C25H21F5N4O4.C25H20F4N4O3.C23H21F3N6O3.C22H19F3N6O3/c1-13-4-5-15-11-33(12-16(15)10-13)25(34)22-23(14(2)30)36-24(32-22)18-6-8-19(35-3)21-17(18)7-9-20(31-21)26(27,28)29;1-11(31)21-20(23(35)32-10-12-4-7-15(26)22(37-3)18(12)27)34-24(38-21)14-5-8-16(36-2)19-13(14)6-9-17(33-19)25(28,29)30;1-12(30)22-21(24(34)33-10-13-4-3-5-17(26)16(13)11-33)32-23(36-22)15-6-8-18(35-2)20-14(15)7-9-19(31-20)25(27,28)29;1-11(27)20-19(22(33)32-9-12-8-28-31(2)15(12)10-32)30-21(35-20)14-4-6-16(34-3)18-13(14)5-7-17(29-18)23(24,25)26;1-11(26)19-18(20(32)29-10-16-27-8-3-9-28-16)31-21(34-19)13-4-6-14(33-2)17-12(13)5-7-15(30-17)22(23,24)25/h4-10,14H,11-12,30H2,1-3H3;4-9,11H,10,31H2,1-3H3,(H,32,35);3-9,12H,10-11,30H2,1-2H3;4-8,11H,9-10,27H2,1-3H3;3-9,11H,10,26H2,1-2H3,(H,29,32)/t14-;11-;12-;2*11-/m00000/s1
InChIKeyACBJUTUDINWEKP-IIENGAMVSA-N
XLogP23.27
TPSA542.81 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002492.28
LogP ≤ 523.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[5-(Aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]piperidin-4-yl]-1-pyridin-2-ylimidazo[4,5-b]pyridin-2-one
CID 57600777
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[(1S,4R)-5-pyrimidin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 57600889
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-[[4-(2,6-difluorophenyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 57601216
[5-(Aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 57601803
[5-(Aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-[[4-(2,6-difluorophenyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 70329949
6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
CID 157216748
CID 157216748
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157400906
5-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-[(2S)-1-(pyrimidin-2-ylamino)butan-2-yl]-1,3-oxazole-4-carboxamide;ethyl (2S,4R)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate;ethyl (2S)-1-[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-hydroxy-4-methylpyrrolidine-2-carboxylate
CID 157454284
CID 157456984
CID 157456984
CID 157515292
CID 157515292
CID 157683129
CID 157683129

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 157067687) is 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide is COc1c(F)ccc(CNC(=O)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)oc2[C@H](C)N)c1F.COc1ccc(-c2nc(C(=O)N3Cc4ccc(C)cc4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)N3Cc4cccc(F)c4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)N3Cc4cnn(C)c4C3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.COc1ccc(-c2nc(C(=O)NCc3ncccn3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ACBJUTUDINWEKP-IIENGAMVSA-N. The full InChI is InChI=1S/C26H23F3N4O3.C25H21F5N4O4.C25H20F4N4O3.C23H21F3N6O3.C22H19F3N6O3/c1-13-4-5-15-11-33(12-16(15)10-13)25(34)22-23(14(2)30)36-24(32-22)18-6-8-19(35-3)21-17(18)7-9-20(31-21)26(27,28)29;1-11(31)21-20(23(35)32-10-12-4-7-15(26)22(37-3)18(12)27)34-24(38-21)14-5-8-16(36-2)19-13(14)6-9-17(33-19)25(28,29)30;1-12(30)22-21(24(34)33-10-13-4-3-5-17(26)16(13)11-33)32-23(36-22)15-6-8-18(35-2)20-14(15)7-9-19(31-20)25(27,28)29;1-11(27)20-19(22(33)32-9-12-8-28-31(2)15(12)10-32)30-21(35-20)14-4-6-16(34-3)18-13(14)5-7-17(29-18)23(24,25)26;1-11(26)19-18(20(32)29-10-16-27-8-3-9-28-16)31-21(34-19)13-4-6-14(33-2)17-12(13)5-7-15(30-17)22(23,24)25/h4-10,14H,11-12,30H2,1-3H3;4-9,11H,10,31H2,1-3H3,(H,32,35);3-9,12H,10-11,30H2,1-2H3;4-8,11H,9-10,27H2,1-3H3;3-9,11H,10,26H2,1-2H3,(H,29,32)/t14-;11-;12-;2*11-/m00000/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide?
5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 2492.28 g/mol, XLogP of 23.27, 25 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 157067687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).