2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one

C108H93Cl5N18O13 — CID 158565094

IUPAC2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cc(-c3ncco3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2cc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(C(=O)N(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.Clc1ccccc1-c1oc(-c2ccnc3[nH]ccc23)nc1-c1ncc[nH]1
InChIInChI=1S/C24H22ClN5O3.C23H23ClN2O3.C22H17ClN2O3.C20H19ClN4O3.C19H12ClN5O/c1-15-13-28-17(11-16(2)31)12-19(15)24-29-21(22(33-24)18-5-3-4-6-20(18)25)23(32)27-8-10-30-9-7-26-14-30;1-13(2)26-23(28)19-11-21(29-22(19)17-7-5-6-8-20(17)24)18-10-16(9-15(4)27)25-12-14(18)3;1-13-12-25-15(9-14(2)26)10-17(13)20-11-18(22-24-7-8-27-22)21(28-20)16-5-3-4-6-19(16)23;1-11-10-22-16(23-12(2)26)9-14(11)19-24-17(20(27)25(3)4)18(28-19)13-7-5-6-8-15(13)21;20-14-4-2-1-3-13(14)16-15(18-23-9-10-24-18)25-19(26-16)12-6-8-22-17-11(12)5-7-21-17/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,27,32);5-8,10-13H,9H2,1-4H3,(H,26,28);3-8,10-12H,9H2,1-2H3;5-10H,1-4H3,(H,22,23,26);1-10H,(H,21,22)(H,23,24)
InChIKeyHRJHDMUQWQMCNW-UHFFFAOYSA-N
MW2028.31 g/mol
LogP24.07
Rot. Bonds26

About 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one (PubChem CID 158565094) has the molecular formula C108H93Cl5N18O13 and a molecular weight of 2028.31 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one
PubChem CID158565094
Molecular FormulaC108H93Cl5N18O13
Molecular Weight2028.31 g/mol
Exact Mass2024.56
IUPAC Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-c2cc(-c3ncco3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2cc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(C(=O)N(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.Clc1ccccc1-c1oc(-c2ccnc3[nH]ccc23)nc1-c1ncc[nH]1
InChIInChI=1S/C24H22ClN5O3.C23H23ClN2O3.C22H17ClN2O3.C20H19ClN4O3.C19H12ClN5O/c1-15-13-28-17(11-16(2)31)12-19(15)24-29-21(22(33-24)18-5-3-4-6-20(18)25)23(32)27-8-10-30-9-7-26-14-30;1-13(2)26-23(28)19-11-21(29-22(19)17-7-5-6-8-20(17)24)18-10-16(9-15(4)27)25-12-14(18)3;1-13-12-25-15(9-14(2)26)10-17(13)20-11-18(22-24-7-8-27-22)21(28-20)16-5-3-4-6-19(16)23;1-11-10-22-16(23-12(2)26)9-14(11)19-24-17(20(27)25(3)4)18(28-19)13-7-5-6-8-15(13)21;20-14-4-2-1-3-13(14)16-15(18-23-9-10-24-18)25-19(26-16)12-6-8-22-17-11(12)5-7-21-17/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,27,32);5-8,10-13H,9H2,1-4H3,(H,26,28);3-8,10-12H,9H2,1-2H3;5-10H,1-4H3,(H,22,23,26);1-10H,(H,21,22)(H,23,24)
InChIKeyHRJHDMUQWQMCNW-UHFFFAOYSA-N
XLogP24.07
TPSA415.96 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.31
LogP ≤ 524.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one with MolForge

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Related Compounds

4-chloro-7-[(2S)-1-methylpyrrolidin-2-yl]-3H-imidazo[4,5-c]pyridine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-c]pyridine;4-methoxy-7-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-c]pyridine;4-methoxy-7-[(2S)-1-methylpyrrolidin-2-yl]-[1,3]oxazolo[4,5-c]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 157501418
4-chloro-7-[(2S)-1-methylpyrrolidin-2-yl]-3H-imidazo[4,5-c]pyridine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-c]pyridine;4-methoxy-7-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-c]pyridine;4-methoxy-7-[(2S)-1-methylpyrrolidin-2-yl]furo[3,2-c]pyridine;4-methoxy-7-[(2S)-1-methylpyrrolidin-2-yl]-[1,3]oxazolo[4,5-c]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[2,3-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 160559277
4-(1-benzofuran-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;3-(furan-2-yl)-5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;4-methyl-7-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-c]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[2,3-b]pyridine;6-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydrofuro[3,2-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]furo[2,3-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[2,3-b]pyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 161828020
tert-butyl 3-[2-[[2-[2-chloro-5-[[4-[5-[[4-chloro-3-[6-(piperidin-4-ylmethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]carbamoyl]furan-2-yl]furan-2-carbonyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylate
CID 123769352
tert-butyl (3R)-3-[2-[[2-[2-chloro-5-[[4-[5-[[4-chloro-3-[6-(piperidin-4-ylmethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]carbamoyl]furan-2-yl]furan-2-carbonyl]amino]phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylate
CID 144717815
2-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-1,3-oxazole-5-carboxamide;1-[4-[4-acetyl-5-(2-chlorophenyl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one;2-(2-chlorophenyl)-N-(2-methoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[5-[3-(dimethylamino)piperidin-1-yl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one
CID 157156784
CID 157401862
CID 157401862
5-chloro-2-(4-fluoro-1H-inden-2-yl)-4-propan-2-ylpyridine;[3-(4-fluoro-1,3-benzoxazol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;4-fluoro-2-(6-propan-2-ylpyrazin-2-yl)-1,3-benzoxazole;4-fluoro-2-(5-propan-2-yl-3-pyridinyl)-1,3-benzoxazole;[3-(1H-indol-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-propan-2-yl-2-pyridinyl]methanol;2-(5-propan-2-yl-3-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine
CID 157620470
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)furan-3-carboxamide;2-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-[5-methyl-2-(prop-1-en-2-ylamino)-4-pyridinyl]furan-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(4H-pyrazol-3-yl)-1,3-oxazol-2-yl]-2-pyridinyl]hex-5-en-2-one
CID 157666768
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)furan-3-carboxamide;1-[4-[4-acetyl-5-(2-chlorophenyl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one;5-(2-chlorophenyl)-2-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]-1,3-oxazole-4-carboxamide;2-(2-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide
CID 157783685
2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide;2-[2-chloro-6-(furan-2-ylmethylamino)-8-(methylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]ethanol
CID 157847424
2-phenyl-3-propan-2-ylpyridine;2-phenyl-4-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;3-phenyl-2-propan-2-ylpyridine;3-phenyl-4-propan-2-ylpyridine;3-phenyl-5-propan-2-ylpyridine;4-phenyl-2-propan-2-ylpyridine;4-phenyl-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylfuro[2,3-b]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 157900007

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one (CID 158565094) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one.
What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-c2cc(-c3ncco3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2cc(C(=O)NC(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Cc1cc(-c2nc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1.CC(=O)Nc1cc(-c2nc(C(=O)N(C)C)c(-c3ccccc3Cl)o2)c(C)cn1.Clc1ccccc1-c1oc(-c2ccnc3[nH]ccc23)nc1-c1ncc[nH]1.
What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
The InChIKey is HRJHDMUQWQMCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3.C23H23ClN2O3.C22H17ClN2O3.C20H19ClN4O3.C19H12ClN5O/c1-15-13-28-17(11-16(2)31)12-19(15)24-29-21(22(33-24)18-5-3-4-6-20(18)25)23(32)27-8-10-30-9-7-26-14-30;1-13(2)26-23(28)19-11-21(29-22(19)17-7-5-6-8-20(17)24)18-10-16(9-15(4)27)25-12-14(18)3;1-13-12-25-15(9-14(2)26)10-17(13)20-11-18(22-24-7-8-27-22)21(28-20)16-5-3-4-6-19(16)23;1-11-10-22-16(23-12(2)26)9-14(11)19-24-17(20(27)25(3)4)18(28-19)13-7-5-6-8-15(13)21;20-14-4-2-1-3-13(14)16-15(18-23-9-10-24-18)25-19(26-16)12-6-8-22-17-11(12)5-7-21-17/h3-7,9,12-14H,8,10-11H2,1-2H3,(H,27,32);5-8,10-13H,9H2,1-4H3,(H,26,28);3-8,10-12H,9H2,1-2H3;5-10H,1-4H3,(H,22,23,26);1-10H,(H,21,22)(H,23,24).
What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one?
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one has a molecular weight of 2028.31 g/mol, XLogP of 24.07, 26 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N,N-dimethyl-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide;5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole;2-(2-chlorophenyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-N-propan-2-ylfuran-3-carboxamide;1-[4-[5-(2-chlorophenyl)-4-(1,3-oxazol-2-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one is sourced from PubChem (CID 158565094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).