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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile

C81H78F2N16O14S4 — CID 158547219

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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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 158547219) has the molecular formula C81H78F2N16O14S4 and a molecular weight of 1665.88 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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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: 158547219
• Molecular Formula: C81H78F2N16O14S4
• Molecular Weight: 1665.88 g/mol
• Exact Mass: 1664.47
• 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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)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
• InChI: InChI=1S/C25H30N4O6S.C20H18N4O2S.2C18H15FN4O3S/c1-31-8-9-32-10-11-33-12-13-34-23-15-21(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(2,25)24-18-5-3-4-17(11-18)23-20-22-13-19(26-20)15-6-7-16-12-21-9-8-14(16)10-15;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/h4-7,14-16,18H,2,8-13H2,1,3H3,(H,27,28)(H,29,30);3-13H,1H2,2H3,(H,22,23)(H,24,25);2*2-10,22-23H,1H3,(H,20,21)
• InChIKey: HPGRKSWDGGKAGM-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 407.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.88
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;4-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile (CID 158547219) 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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)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.

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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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 HPGRKSWDGGKAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6S.C20H18N4O2S.2C18H15FN4O3S/c1-31-8-9-32-10-11-33-12-13-34-23-15-21(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(2,25)24-18-5-3-4-17(11-18)23-20-22-13-19(26-20)15-6-7-16-12-21-9-8-14(16)10-15;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/h4-7,14-16,18H,2,8-13H2,1,3H3,(H,27,28)(H,29,30);3-13H,1H2,2H3,(H,22,23)(H,24,25);2*2-10,22-23H,1H3,(H,20,21).

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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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 1665.88 g/mol, XLogP of 16.15, 30 rotatable bonds, 10 hydrogen bond donors, and 24 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;1-N-(5-isoquinolin-6-yl-1,3-oxazol-2-yl)-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;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 158547219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).