4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

C183H158Cl6F6N34O31 — CID 161318638

IUPAC4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC=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.C=CC(=O)NCc1ccc(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)Cl)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)nc3c2)ccn1
InChIInChI=1S/C29H23F3N6O4.C28H26ClN5O6.C26H24ClN5O5.C26H24ClN5O4.C25H21ClN4O4.C25H20F3N5O4.C24H20Cl2N4O4/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;1-14(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;1-14(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;1-3-22(34)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-11-16(6-7-21(19)37-24)36-17-8-9-30-20(12-17)23(35)29-2;1-13(25)21(31)9-14-3-4-15(10-18(14)26)29-24-30-19-11-16(5-6-22(19)34-24)33-17-7-8-28-20(12-17)23(32)27-2/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);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);4-13H,1-3H3,(H,27,32)(H,29,30);3-12H,1,13H2,2H3,(H,29,35)(H,31,34)(H,32,33);3-8,10-13H,9H2,1-2H3,(H,27,32)(H,29,30)/b;;;5-4+;;;
InChIKeyVJVMXWDTPOAPHX-ZDYOCENHSA-N
MW3656.19 g/mol
LogP35.81
Rot. Bonds58

About 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 161318638) has the molecular formula C183H158Cl6F6N34O31 and a molecular weight of 3656.19 g/mol. Its IUPAC name is 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID161318638
Molecular FormulaC183H158Cl6F6N34O31
Molecular Weight3656.19 g/mol
Exact Mass3650.99
IUPAC Name4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC=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.C=CC(=O)NCc1ccc(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)Cl)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)nc3c2)ccn1
InChIInChI=1S/C29H23F3N6O4.C28H26ClN5O6.C26H24ClN5O5.C26H24ClN5O4.C25H21ClN4O4.C25H20F3N5O4.C24H20Cl2N4O4/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;1-14(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;1-14(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;1-3-22(34)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-11-16(6-7-21(19)37-24)36-17-8-9-30-20(12-17)23(35)29-2;1-13(25)21(31)9-14-3-4-15(10-18(14)26)29-24-30-19-11-16(5-6-22(19)34-24)33-17-7-8-28-20(12-17)23(32)27-2/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);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);4-13H,1-3H3,(H,27,32)(H,29,30);3-12H,1,13H2,2H3,(H,29,35)(H,31,34)(H,32,33);3-8,10-13H,9H2,1-2H3,(H,27,32)(H,29,30)/b;;;5-4+;;;
InChIKeyVJVMXWDTPOAPHX-ZDYOCENHSA-N
XLogP35.81
TPSA833.71 Ų
H-Bond Donors17
H-Bond Acceptors55
Rotatable Bonds58
Heavy Atoms260
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003656.19
LogP ≤ 535.81
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (CID 161318638) is 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is 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.C=CC(=O)NCc1ccc(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)Cl)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)nc3c2)ccn1.
What is the InChIKey of 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is VJVMXWDTPOAPHX-ZDYOCENHSA-N. The full InChI is InChI=1S/C29H23F3N6O4.C28H26ClN5O6.C26H24ClN5O5.C26H24ClN5O4.C25H21ClN4O4.C25H20F3N5O4.C24H20Cl2N4O4/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;1-14(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;1-14(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;1-3-22(34)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-11-16(6-7-21(19)37-24)36-17-8-9-30-20(12-17)23(35)29-2;1-13(25)21(31)9-14-3-4-15(10-18(14)26)29-24-30-19-11-16(5-6-22(19)34-24)33-17-7-8-28-20(12-17)23(32)27-2/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);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);4-13H,1-3H3,(H,27,32)(H,29,30);3-12H,1,13H2,2H3,(H,29,35)(H,31,34)(H,32,33);3-8,10-13H,9H2,1-2H3,(H,27,32)(H,29,30)/b;;;5-4+;;;.
What are the key properties of 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 3656.19 g/mol, XLogP of 35.81, 58 rotatable bonds, 17 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-chloro-4-(3-chloro-2-oxobutyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-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;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 161318638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).