N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile

C89H94F5N19O15S4 — CID 158195586

About N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile

N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile (PubChem CID 158195586) has the molecular formula C89H94F5N19O15S4 and a molecular weight of 1893.11 g/mol. Its IUPAC name is N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile.

Molecular Properties

• Compound Name: N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile
• PubChem CID: 158195586
• Molecular Formula: C89H94F5N19O15S4
• Molecular Weight: 1893.11 g/mol
• Exact Mass: 1891.60
• IUPAC Name: N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile
• SMILES: C=S(C)(=O)Nc1cc(Nc2ncc(-c3ccc(C#N)cc3)o2)cc(OCCOCCOCCOC)c1.CS(=O)(=O)Nc1cccc(Nc2ncc(-c3cc4cc(F)ccc4[nH]3)o2)c1.CS(=O)(=O)Nc1cccc(Nc2ncc(-c3cc4ccc(F)cc4[nH]3)o2)c1.Cc1ccc(NC(=O)c2csc([C@@H](NC(=O)c3cnc(N4CCN(CCO)CC4)nc3C)C(C)C)n2)cc1C(F)(F)F
• InChI: InChI=1S/C28H34F3N7O3S.C25H30N4O6S.2C18H15FN4O3S/c1-16(2)23(26-35-22(15-42-26)25(41)34-19-6-5-17(3)21(13-19)28(29,30)31)36-24(40)20-14-32-27(33-18(20)4)38-9-7-37(8-10-38)11-12-39;1-31-8-9-32-10-11-33-12-13-34-23-15-21(14-22(16-23)29-36(2,3)30)28-25-27-18-24(35-25)20-6-4-19(17-26)5-7-20;1-27(24,25)23-14-4-2-3-13(9-14)21-18-20-10-17(26-18)16-8-11-7-12(19)5-6-15(11)22-16;1-27(24,25)23-14-4-2-3-13(9-14)21-18-20-10-17(26-18)16-7-11-5-6-12(19)8-15(11)22-16/h5-6,13-16,23,39H,7-12H2,1-4H3,(H,34,41)(H,36,40);4-7,14-16,18H,2,8-13H2,1,3H3,(H,27,28)(H,29,30);2*2-10,22-23H,1H3,(H,20,21)/t23-;;;/m0.../s1
• InChIKey: GAHLWRIDZHFVNX-AQUVTFJZSA-N
• XLogP: 15.91
• TPSA: 451.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1893.11
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

The IUPAC name of N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile (CID 158195586) is N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile.

What is the SMILES notation for N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

The canonical SMILES for N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile is C=S(C)(=O)Nc1cc(Nc2ncc(-c3ccc(C#N)cc3)o2)cc(OCCOCCOCCOC)c1.CS(=O)(=O)Nc1cccc(Nc2ncc(-c3cc4cc(F)ccc4[nH]3)o2)c1.CS(=O)(=O)Nc1cccc(Nc2ncc(-c3cc4ccc(F)cc4[nH]3)o2)c1.Cc1ccc(NC(=O)c2csc([C@@H](NC(=O)c3cnc(N4CCN(CCO)CC4)nc3C)C(C)C)n2)cc1C(F)(F)F.

What is the InChIKey of N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

The InChIKey is GAHLWRIDZHFVNX-AQUVTFJZSA-N. The full InChI is InChI=1S/C28H34F3N7O3S.C25H30N4O6S.2C18H15FN4O3S/c1-16(2)23(26-35-22(15-42-26)25(41)34-19-6-5-17(3)21(13-19)28(29,30)31)36-24(40)20-14-32-27(33-18(20)4)38-9-7-37(8-10-38)11-12-39;1-31-8-9-32-10-11-33-12-13-34-23-15-21(14-22(16-23)29-36(2,3)30)28-25-27-18-24(35-25)20-6-4-19(17-26)5-7-20;1-27(24,25)23-14-4-2-3-13(9-14)21-18-20-10-17(26-18)16-8-11-7-12(19)5-6-15(11)22-16;1-27(24,25)23-14-4-2-3-13(9-14)21-18-20-10-17(26-18)16-7-11-5-6-12(19)8-15(11)22-16/h5-6,13-16,23,39H,7-12H2,1-4H3,(H,34,41)(H,36,40);4-7,14-16,18H,2,8-13H2,1,3H3,(H,27,28)(H,29,30);2*2-10,22-23H,1H3,(H,20,21)/t23-;;;/m0.../s1.

What are the key properties of N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 1893.11 g/mol, XLogP of 15.91, 34 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-(5-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;N-[3-[[5-(6-fluoro-1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;2-[(1S)-1-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrimidine-5-carbonyl]amino]-2-methylpropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 158195586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).