4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

C211H180Cl7F4N39O36 — CID 158581793

IUPAC4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC/C=C/C(=O)COc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.C=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1Cl.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(C(=O)C=C(C)C)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(CC(=O)C=C(C)C)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)c5cccnc5F)c4)nc3c2)ccn1
InChIInChI=1S/C29H23F3N6O4.C28H26ClN5O6.C26H18ClFN6O4.C26H24ClN5O5.C26H24ClN5O4.C26H23ClN4O4.C25H21ClN4O5.C25H21ClN4O4/c1-17(16-38-11-3-9-35-38)25(39)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-14-20(6-7-26(23)42-28)41-21-8-10-34-24(15-21)27(40)33-2;1-16(27(37)34-9-11-38-12-10-34)25(35)20-13-17(3-5-21(20)29)32-28-33-22-14-18(4-6-24(22)40-28)39-19-7-8-31-23(15-19)26(36)30-2;1-29-25(36)21-13-16(8-10-30-21)37-15-5-7-22-20(12-15)34-26(38-22)32-14-4-6-18(27)19(11-14)33-24(35)17-3-2-9-31-23(17)28;1-14(25(35)32(3)4)23(33)18-7-5-15(11-19(18)27)30-26-31-20-12-16(6-8-22(20)37-26)36-17-9-10-29-21(13-17)24(34)28-2;1-28-25(34)22-15-18(10-11-29-22)35-17-7-9-24-21(14-17)31-26(36-24)30-16-6-8-20(27)19(13-16)23(33)5-4-12-32(2)3;1-15(2)10-18(32)11-16-4-5-17(12-21(16)27)30-26-31-22-13-19(6-7-24(22)35-26)34-20-8-9-29-23(14-20)25(33)28-3;1-3-4-16(31)14-33-23-11-15(5-7-19(23)26)29-25-30-20-12-17(6-8-22(20)35-25)34-18-9-10-28-21(13-18)24(32)27-2;1-14(2)10-22(31)18-6-4-15(11-19(18)26)29-25-30-20-12-16(5-7-23(20)34-25)33-17-8-9-28-21(13-17)24(32)27-3/h3-11,13-15H,1,12,16H2,2H3,(H,33,40)(H,36,37);3-8,13-15,25,35H,1,9-12H2,2H3,(H,30,36)(H,32,33);2-13H,1H3,(H,29,36)(H,32,34)(H,33,35);5-13,23,33H,1H2,2-4H3,(H,28,34)(H,30,31);4-11,13-15H,12H2,1-3H3,(H,28,34)(H,30,31);4-10,12-14H,11H2,1-3H3,(H,28,33)(H,30,31);3-13H,14H2,1-2H3,(H,27,32)(H,29,30);4-13H,1-3H3,(H,27,32)(H,29,30)/b;;;;5-4+;;4-3+;
InChIKeyHTILPJNTLKVALV-AKSZEFJUSA-N
MW4162.16 g/mol
LogP42.07
Rot. Bonds66

About 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 158581793) has the molecular formula C211H180Cl7F4N39O36 and a molecular weight of 4162.16 g/mol. Its IUPAC name is 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID158581793
Molecular FormulaC211H180Cl7F4N39O36
Molecular Weight4162.16 g/mol
Exact Mass4156.12
IUPAC Name4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC/C=C/C(=O)COc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.C=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1Cl.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(C(=O)C=C(C)C)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(CC(=O)C=C(C)C)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)c5cccnc5F)c4)nc3c2)ccn1
InChIInChI=1S/C29H23F3N6O4.C28H26ClN5O6.C26H18ClFN6O4.C26H24ClN5O5.C26H24ClN5O4.C26H23ClN4O4.C25H21ClN4O5.C25H21ClN4O4/c1-17(16-38-11-3-9-35-38)25(39)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-14-20(6-7-26(23)42-28)41-21-8-10-34-24(15-21)27(40)33-2;1-16(27(37)34-9-11-38-12-10-34)25(35)20-13-17(3-5-21(20)29)32-28-33-22-14-18(4-6-24(22)40-28)39-19-7-8-31-23(15-19)26(36)30-2;1-29-25(36)21-13-16(8-10-30-21)37-15-5-7-22-20(12-15)34-26(38-22)32-14-4-6-18(27)19(11-14)33-24(35)17-3-2-9-31-23(17)28;1-14(25(35)32(3)4)23(33)18-7-5-15(11-19(18)27)30-26-31-20-12-16(6-8-22(20)37-26)36-17-9-10-29-21(13-17)24(34)28-2;1-28-25(34)22-15-18(10-11-29-22)35-17-7-9-24-21(14-17)31-26(36-24)30-16-6-8-20(27)19(13-16)23(33)5-4-12-32(2)3;1-15(2)10-18(32)11-16-4-5-17(12-21(16)27)30-26-31-22-13-19(6-7-24(22)35-26)34-20-8-9-29-23(14-20)25(33)28-3;1-3-4-16(31)14-33-23-11-15(5-7-19(23)26)29-25-30-20-12-17(6-8-22(20)35-25)34-18-9-10-28-21(13-18)24(32)27-2;1-14(2)10-22(31)18-6-4-15(11-19(18)26)29-25-30-20-12-16(5-7-23(20)34-25)33-17-8-9-28-21(13-17)24(32)27-3/h3-11,13-15H,1,12,16H2,2H3,(H,33,40)(H,36,37);3-8,13-15,25,35H,1,9-12H2,2H3,(H,30,36)(H,32,33);2-13H,1H3,(H,29,36)(H,32,34)(H,33,35);5-13,23,33H,1H2,2-4H3,(H,28,34)(H,30,31);4-11,13-15H,12H2,1-3H3,(H,28,34)(H,30,31);4-10,12-14H,11H2,1-3H3,(H,28,33)(H,30,31);3-13H,14H2,1-2H3,(H,27,32)(H,29,30);4-13H,1-3H3,(H,27,32)(H,29,30)/b;;;;5-4+;;4-3+;
InChIKeyHTILPJNTLKVALV-AKSZEFJUSA-N
XLogP42.07
TPSA962.18 Ų
H-Bond Donors19
H-Bond Acceptors64
Rotatable Bonds66
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004162.16
LogP ≤ 542.07
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1064

Analyze 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (CID 158581793) is 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is C/C=C/C(=O)COc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.C=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1Cl.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(C(=O)C=C(C)C)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(CC(=O)C=C(C)C)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)c5cccnc5F)c4)nc3c2)ccn1.
What is the InChIKey of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is HTILPJNTLKVALV-AKSZEFJUSA-N. The full InChI is InChI=1S/C29H23F3N6O4.C28H26ClN5O6.C26H18ClFN6O4.C26H24ClN5O5.C26H24ClN5O4.C26H23ClN4O4.C25H21ClN4O5.C25H21ClN4O4/c1-17(16-38-11-3-9-35-38)25(39)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-14-20(6-7-26(23)42-28)41-21-8-10-34-24(15-21)27(40)33-2;1-16(27(37)34-9-11-38-12-10-34)25(35)20-13-17(3-5-21(20)29)32-28-33-22-14-18(4-6-24(22)40-28)39-19-7-8-31-23(15-19)26(36)30-2;1-29-25(36)21-13-16(8-10-30-21)37-15-5-7-22-20(12-15)34-26(38-22)32-14-4-6-18(27)19(11-14)33-24(35)17-3-2-9-31-23(17)28;1-14(25(35)32(3)4)23(33)18-7-5-15(11-19(18)27)30-26-31-20-12-16(6-8-22(20)37-26)36-17-9-10-29-21(13-17)24(34)28-2;1-28-25(34)22-15-18(10-11-29-22)35-17-7-9-24-21(14-17)31-26(36-24)30-16-6-8-20(27)19(13-16)23(33)5-4-12-32(2)3;1-15(2)10-18(32)11-16-4-5-17(12-21(16)27)30-26-31-22-13-19(6-7-24(22)35-26)34-20-8-9-29-23(14-20)25(33)28-3;1-3-4-16(31)14-33-23-11-15(5-7-19(23)26)29-25-30-20-12-17(6-8-22(20)35-25)34-18-9-10-28-21(13-18)24(32)27-2;1-14(2)10-22(31)18-6-4-15(11-19(18)26)29-25-30-20-12-16(5-7-23(20)34-25)33-17-8-9-28-21(13-17)24(32)27-3/h3-11,13-15H,1,12,16H2,2H3,(H,33,40)(H,36,37);3-8,13-15,25,35H,1,9-12H2,2H3,(H,30,36)(H,32,33);2-13H,1H3,(H,29,36)(H,32,34)(H,33,35);5-13,23,33H,1H2,2-4H3,(H,28,34)(H,30,31);4-11,13-15H,12H2,1-3H3,(H,28,34)(H,30,31);4-10,12-14H,11H2,1-3H3,(H,28,33)(H,30,31);3-13H,14H2,1-2H3,(H,27,32)(H,29,30);4-13H,1-3H3,(H,27,32)(H,29,30)/b;;;;5-4+;;4-3+;.
What are the key properties of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 4162.16 g/mol, XLogP of 42.07, 66 rotatable bonds, 19 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(3-methylbut-2-enoyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoropyridine-3-carboxamide;4-[[2-[3-chloro-4-(4-methyl-2-oxopent-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 158581793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).