4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

C163H125Cl8F4N35O27S — CID 160546411

IUPAC4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC=CC(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1Cl.C=CC(=O)NCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1C(F)(F)F.C=CC(=O)Nc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(CC(=O)C(C)Cl)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5noc(F)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5nsc(C)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)CCl)c4)nc3c2)ccn1
InChIInChI=1S/C25H20F3N5O4.C24H20Cl2N4O4.C24H19ClN4O4.C23H17ClN6O3S.C23H18ClN5O4.C22H17Cl2N5O4.C22H14ClFN6O4/c1-3-22(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;1-3-16(30)10-14-4-5-15(11-19(14)25)28-24-29-20-12-17(6-7-22(20)33-24)32-18-8-9-27-21(13-18)23(31)26-2;1-12-27-21(30-34-12)16-9-13(3-5-17(16)24)28-23-29-18-10-14(4-6-20(18)33-23)32-15-7-8-26-19(11-15)22(31)25-2;1-3-21(30)28-17-10-13(4-6-16(17)24)27-23-29-18-11-14(5-7-20(18)33-23)32-15-8-9-26-19(12-15)22(31)25-2;1-25-21(31)18-10-14(6-7-26-18)32-13-3-5-19-17(9-13)29-22(33-19)27-12-2-4-15(24)16(8-12)28-20(30)11-23;1-25-20(31)17-10-13(6-7-26-17)32-12-3-5-18-16(9-12)28-22(33-18)27-11-2-4-15(23)14(8-11)19-29-21(24)34-30-19/h3-12H,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);3-9,11-13H,1,10H2,2H3,(H,26,31)(H,28,29);3-11H,1-2H3,(H,25,31)(H,28,29);3-12H,1H2,2H3,(H,25,31)(H,27,29)(H,28,30);2-10H,11H2,1H3,(H,25,31)(H,27,29)(H,28,30);2-10H,1H3,(H,25,31)(H,27,28)
InChIKeyQXMJGRMUMUUDGB-UHFFFAOYSA-N
MW3397.69 g/mol
LogP35.92
Rot. Bonds50

About 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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 160546411) has the molecular formula C163H125Cl8F4N35O27S and a molecular weight of 3397.69 g/mol. Its IUPAC name is 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID160546411
Molecular FormulaC163H125Cl8F4N35O27S
Molecular Weight3397.69 g/mol
Exact Mass3391.66
IUPAC Name4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC=CC(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1Cl.C=CC(=O)NCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1C(F)(F)F.C=CC(=O)Nc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(CC(=O)C(C)Cl)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5noc(F)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5nsc(C)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)CCl)c4)nc3c2)ccn1
InChIInChI=1S/C25H20F3N5O4.C24H20Cl2N4O4.C24H19ClN4O4.C23H17ClN6O3S.C23H18ClN5O4.C22H17Cl2N5O4.C22H14ClFN6O4/c1-3-22(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;1-3-16(30)10-14-4-5-15(11-19(14)25)28-24-29-20-12-17(6-7-22(20)33-24)32-18-8-9-27-21(13-18)23(31)26-2;1-12-27-21(30-34-12)16-9-13(3-5-17(16)24)28-23-29-18-10-14(4-6-20(18)33-23)32-15-7-8-26-19(11-15)22(31)25-2;1-3-21(30)28-17-10-13(4-6-16(17)24)27-23-29-18-11-14(5-7-20(18)33-23)32-15-8-9-26-19(12-15)22(31)25-2;1-25-21(31)18-10-14(6-7-26-18)32-13-3-5-19-17(9-13)29-22(33-19)27-12-2-4-15(24)16(8-12)28-20(30)11-23;1-25-20(31)17-10-13(6-7-26-17)32-12-3-5-18-16(9-12)28-22(33-18)27-11-2-4-15(23)14(8-11)19-29-21(24)34-30-19/h3-12H,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);3-9,11-13H,1,10H2,2H3,(H,26,31)(H,28,29);3-11H,1-2H3,(H,25,31)(H,28,29);3-12H,1H2,2H3,(H,25,31)(H,27,29)(H,28,30);2-10H,11H2,1H3,(H,25,31)(H,27,29)(H,28,30);2-10H,1H3,(H,25,31)(H,27,28)
InChIKeyQXMJGRMUMUUDGB-UHFFFAOYSA-N
XLogP35.92
TPSA811.10 Ų
H-Bond Donors17
H-Bond Acceptors53
Rotatable Bonds50
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003397.69
LogP ≤ 535.92
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (CID 160546411) is 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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=CC(=O)Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1Cl.C=CC(=O)NCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1C(F)(F)F.C=CC(=O)Nc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(CC(=O)C(C)Cl)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5noc(F)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(-c5nsc(C)n5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)CCl)c4)nc3c2)ccn1.
What is the InChIKey of 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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 QXMJGRMUMUUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O4.C24H20Cl2N4O4.C24H19ClN4O4.C23H17ClN6O3S.C23H18ClN5O4.C22H17Cl2N5O4.C22H14ClFN6O4/c1-3-22(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;1-3-16(30)10-14-4-5-15(11-19(14)25)28-24-29-20-12-17(6-7-22(20)33-24)32-18-8-9-27-21(13-18)23(31)26-2;1-12-27-21(30-34-12)16-9-13(3-5-17(16)24)28-23-29-18-10-14(4-6-20(18)33-23)32-15-7-8-26-19(11-15)22(31)25-2;1-3-21(30)28-17-10-13(4-6-16(17)24)27-23-29-18-11-14(5-7-20(18)33-23)32-15-8-9-26-19(12-15)22(31)25-2;1-25-21(31)18-10-14(6-7-26-18)32-13-3-5-19-17(9-13)29-22(33-19)27-12-2-4-15(24)16(8-12)28-20(30)11-23;1-25-20(31)17-10-13(6-7-26-17)32-12-3-5-18-16(9-12)28-22(33-18)27-11-2-4-15(23)14(8-11)19-29-21(24)34-30-19/h3-12H,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);3-9,11-13H,1,10H2,2H3,(H,26,31)(H,28,29);3-11H,1-2H3,(H,25,31)(H,28,29);3-12H,1H2,2H3,(H,25,31)(H,27,29)(H,28,30);2-10H,11H2,1H3,(H,25,31)(H,27,29)(H,28,30);2-10H,1H3,(H,25,31)(H,27,28).
What are the key properties of 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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 3397.69 g/mol, XLogP of 35.92, 50 rotatable bonds, 17 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-(2-oxobut-3-enyl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(prop-2-enoylamino)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-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 160546411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).