5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine

C140H109Cl3F11N25O6 — CID 159261112

IUPAC5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine
SMILESCc1cc2c(C)noc2cc1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1cc2c(C)noc2cc1-c1cnc(NCc2ccccc2F)cn1.Cc1cc2cnn(C)c2cc1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1nc2cc(C)c(-c3ccc(NCc4ccccc4F)nc3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NCc4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NCc4ccccc4F)cn3)cc2o1.Fc1cccc(F)c1CNc1ccc(-c2cc3ocnc3cc2Cl)cn1
InChIInChI=1S/C21H18F2N4.C21H17F2N3O.C21H18FN3O.C20H17FN4O.C19H13ClF2N4O.C19H12ClF2N3O.C19H14ClFN4O/c1-13-8-15-11-26-27(2)20(15)9-16(13)14-6-7-21(24-10-14)25-12-17-18(22)4-3-5-19(17)23;1-12-8-16-13(2)26-27-20(16)9-15(12)14-6-7-21(24-10-14)25-11-17-18(22)4-3-5-19(17)23;1-13-9-19-20(26-14(2)25-19)10-17(13)15-7-8-21(23-11-15)24-12-16-5-3-4-6-18(16)22;1-12-7-16-13(2)25-26-19(16)8-15(12)18-10-24-20(11-22-18)23-9-14-5-3-4-6-17(14)21;1-10-26-16-6-13(20)11(5-18(16)27-10)17-8-25-19(9-23-17)24-7-12-14(21)3-2-4-15(12)22;20-14-7-17-18(26-10-25-17)6-12(14)11-4-5-19(23-8-11)24-9-13-15(21)2-1-3-16(13)22;1-11-25-16-7-14(20)13(6-18(16)26-11)17-9-24-19(10-22-17)23-8-12-4-2-3-5-15(12)21/h3-11H,12H2,1-2H3,(H,24,25);3-10H,11H2,1-2H3,(H,24,25);3-11H,12H2,1-2H3,(H,23,24);3-8,10-11H,9H2,1-2H3,(H,23,24);2-6,8-9H,7H2,1H3,(H,24,25);1-8,10H,9H2,(H,23,24);2-7,9-10H,8H2,1H3,(H,23,24)
InChIKeyKWNBRHULEAMCEU-UHFFFAOYSA-N
MW2552.92 g/mol
LogP35.71
Rot. Bonds28

About 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine

5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine (PubChem CID 159261112) has the molecular formula C140H109Cl3F11N25O6 and a molecular weight of 2552.92 g/mol. Its IUPAC name is 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine
PubChem CID159261112
Molecular FormulaC140H109Cl3F11N25O6
Molecular Weight2552.92 g/mol
Exact Mass2549.79
IUPAC Name5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine
SMILESCc1cc2c(C)noc2cc1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1cc2c(C)noc2cc1-c1cnc(NCc2ccccc2F)cn1.Cc1cc2cnn(C)c2cc1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1nc2cc(C)c(-c3ccc(NCc4ccccc4F)nc3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NCc4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NCc4ccccc4F)cn3)cc2o1.Fc1cccc(F)c1CNc1ccc(-c2cc3ocnc3cc2Cl)cn1
InChIInChI=1S/C21H18F2N4.C21H17F2N3O.C21H18FN3O.C20H17FN4O.C19H13ClF2N4O.C19H12ClF2N3O.C19H14ClFN4O/c1-13-8-15-11-26-27(2)20(15)9-16(13)14-6-7-21(24-10-14)25-12-17-18(22)4-3-5-19(17)23;1-12-8-16-13(2)26-27-20(16)9-15(12)14-6-7-21(24-10-14)25-11-17-18(22)4-3-5-19(17)23;1-13-9-19-20(26-14(2)25-19)10-17(13)15-7-8-21(23-11-15)24-12-16-5-3-4-6-18(16)22;1-12-7-16-13(2)25-26-19(16)8-15(12)18-10-24-20(11-22-18)23-9-14-5-3-4-6-17(14)21;1-10-26-16-6-13(20)11(5-18(16)27-10)17-8-25-19(9-23-17)24-7-12-14(21)3-2-4-15(12)22;20-14-7-17-18(26-10-25-17)6-12(14)11-4-5-19(23-8-11)24-9-13-15(21)2-1-3-16(13)22;1-11-25-16-7-14(20)13(6-18(16)26-11)17-9-24-19(10-22-17)23-8-12-4-2-3-5-15(12)21/h3-11H,12H2,1-2H3,(H,24,25);3-10H,11H2,1-2H3,(H,24,25);3-11H,12H2,1-2H3,(H,23,24);3-8,10-11H,9H2,1-2H3,(H,23,24);2-6,8-9H,7H2,1H3,(H,24,25);1-8,10H,9H2,(H,23,24);2-7,9-10H,8H2,1H3,(H,23,24)
InChIKeyKWNBRHULEAMCEU-UHFFFAOYSA-N
XLogP35.71
TPSA387.11 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002552.92
LogP ≤ 535.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine with MolForge

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Related Compounds

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
N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;2,6-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)-1,3-oxazol-4-yl]phenyl]benzamide;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-3-methylbenzamide;bis(N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide)
CID 157243056
N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;2,6-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methylbenzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide
CID 160100357
N-[5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[3-fluoro-4-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]benzamide;N-[(2,6-difluoro-4-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[5-(6-ethoxy-4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-3-methylbenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluoro-4-methylbenzamide
CID 160352206
CID 165088553
CID 165088553
3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;methane;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
CID 167630019
3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
CID 167693179
N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
CID 157115066
CID 157159447
CID 157159447
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;7-methylisoquinoline;2-methylnaphthalene;6-methylphthalazine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157277947
3-tert-butylaniline;6-tert-butyl-1-benzofuran;5-tert-butyl-3-chloro-2-methylpyridine;bis(3-tert-butyl-7H-cyclopenta[b]pyridine);3-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;6-tert-butyl-4-fluoro-1,2-benzoxazol-3-amine;5-tert-butyl-6-fluoropyridin-2-amine;bis(6-tert-butyl-1H-indole);5-tert-butyl-2-methoxypyridin-3-amine;5-tert-butyl-4-methoxypyridin-2-amine;bis(6-tert-butyl-3-methyl-2H-indazole);bis(5-tert-butyl-3-methyl-1H-isoindole);5-tert-butyl-3-methylpyrazin-2-amine;3-tert-butyl-5-methylpyridine;bis(5-tert-butyl-2-methylpyridine);5-tert-butylpyrimidin-2-amine;6-tert-butyl-3H-pyrrolo[3,2-b]pyridine;methane
CID 157844288
6-tert-butyl-1-benzofuran;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;6-tert-butyl-1H-indole;7-tert-butylindolizine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;1-(2,2-dimethylpropyl)indazole
CID 158101082

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine (CID 159261112) is 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine is Cc1cc2c(C)noc2cc1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1cc2c(C)noc2cc1-c1cnc(NCc2ccccc2F)cn1.Cc1cc2cnn(C)c2cc1-c1ccc(NCc2c(F)cccc2F)nc1.Cc1nc2cc(C)c(-c3ccc(NCc4ccccc4F)nc3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NCc4c(F)cccc4F)cn3)cc2o1.Cc1nc2cc(Cl)c(-c3cnc(NCc4ccccc4F)cn3)cc2o1.Fc1cccc(F)c1CNc1ccc(-c2cc3ocnc3cc2Cl)cn1.
What is the InChIKey of 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
The InChIKey is KWNBRHULEAMCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4.C21H17F2N3O.C21H18FN3O.C20H17FN4O.C19H13ClF2N4O.C19H12ClF2N3O.C19H14ClFN4O/c1-13-8-15-11-26-27(2)20(15)9-16(13)14-6-7-21(24-10-14)25-12-17-18(22)4-3-5-19(17)23;1-12-8-16-13(2)26-27-20(16)9-15(12)14-6-7-21(24-10-14)25-11-17-18(22)4-3-5-19(17)23;1-13-9-19-20(26-14(2)25-19)10-17(13)15-7-8-21(23-11-15)24-12-16-5-3-4-6-18(16)22;1-12-7-16-13(2)25-26-19(16)8-15(12)18-10-24-20(11-22-18)23-9-14-5-3-4-6-17(14)21;1-10-26-16-6-13(20)11(5-18(16)27-10)17-8-25-19(9-23-17)24-7-12-14(21)3-2-4-15(12)22;20-14-7-17-18(26-10-25-17)6-12(14)11-4-5-19(23-8-11)24-9-13-15(21)2-1-3-16(13)22;1-11-25-16-7-14(20)13(6-18(16)26-11)17-9-24-19(10-22-17)23-8-12-4-2-3-5-15(12)21/h3-11H,12H2,1-2H3,(H,24,25);3-10H,11H2,1-2H3,(H,24,25);3-11H,12H2,1-2H3,(H,23,24);3-8,10-11H,9H2,1-2H3,(H,23,24);2-6,8-9H,7H2,1H3,(H,24,25);1-8,10H,9H2,(H,23,24);2-7,9-10H,8H2,1H3,(H,23,24).
What are the key properties of 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine?
5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine has a molecular weight of 2552.92 g/mol, XLogP of 35.71, 28 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine;5-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(3,5-dimethyl-1,2-benzoxazol-6-yl)pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1,5-dimethylindazol-6-yl)pyridin-2-amine;5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyrazin-2-amine;5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-N-[(2-fluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 159261112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).