About 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 162011110) has the molecular formula C174H133Cl7F5N37O28S3
and a molecular weight of 3629.57 g/mol. Its IUPAC name is 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 162011110) is 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is C/C=C/C(=O)COc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.CC#CC(=O)Nc1cc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)ccc1Cl.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(-n5nc(Cl)ccc5=O)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(CC(=O)C=C(C)C)c(Cl)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)C5CCSS5)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)c5cccnc5F)c4)nc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(NC(=O)c5cnc(F)s5)c4)nc3c2)ccn1.
What is the InChIKey of 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is YTMFMMVCWSJPPG-DOZWUWEDSA-N. The full InChI is InChI=1S/C26H18ClFN6O4.C26H23ClN4O4.C25H17ClF3N7O3.C25H21ClN4O5.C24H16ClFN6O4S.C24H20ClN5O4S2.C24H18ClN5O4/c1-29-25(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;1-15(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;1-30-23(38)19-12-15(8-9-31-19)39-14-3-4-17-18(11-14)34-24(33-17)32-13-2-5-20(16(10-13)25(27,28)29)36-22(37)7-6-21(26)35-36;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;1-27-21(33)18-10-14(6-7-28-18)35-13-3-5-19-17(9-13)32-24(36-19)30-12-2-4-15(25)16(8-12)31-22(34)20-11-29-23(26)37-20;1-26-22(31)19-12-15(6-8-27-19)33-14-3-5-20-18(11-14)30-24(34-20)28-13-2-4-16(25)17(10-13)29-23(32)21-7-9-35-36-21;1-3-4-22(31)29-18-11-14(5-7-17(18)25)28-24-30-19-12-15(6-8-21(19)34-24)33-16-9-10-27-20(13-16)23(32)26-2/h2-13H,1H3,(H,29,36)(H,32,34)(H,33,35);4-10,12-14H,11H2,1-3H3,(H,28,33)(H,30,31);2-12H,1H3,(H,30,38)(H2,32,33,34);3-13H,14H2,1-2H3,(H,27,32)(H,29,30);2-11H,1H3,(H,27,33)(H,30,32)(H,31,34);2-6,8,10-12,21H,7,9H2,1H3,(H,26,31)(H,28,30)(H,29,32);5-13H,1-2H3,(H,26,32)(H,28,30)(H,29,31)/b;;;4-3+;;;.
What are the key properties of 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 3629.57 g/mol, XLogP of 37.99, 50 rotatable bonds, 19 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(dithiolane-3-carbonylamino)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;N-[2-chloro-5-[[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-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;4-[[2-[4-(3-chloro-6-oxopyridazin-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 162011110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).