N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile

C114H93F9N26O13S5 — CID 158295218

About N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile

N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile (PubChem CID 158295218) has the molecular formula C114H93F9N26O13S5 and a molecular weight of 2366.48 g/mol. Its IUPAC name is N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile.

Molecular Properties

• Compound Name: N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile
• PubChem CID: 158295218
• Molecular Formula: C114H93F9N26O13S5
• Molecular Weight: 2366.48 g/mol
• Exact Mass: 2364.59
• IUPAC Name: N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile
• SMILES: C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4nn[nH]n4)cc3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)c(F)c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1.CC(F)(F)S(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.N#Cc1ccc(-c2cnc(Nc3cccc(C4=NN=CC4)c3)o2)cc1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1
• InChI: InChI=1S/C23H18F3N3O3S.C19H13N5O.C18H16F3N3O2S.C18H14F2N4O3S.C18H15FN4O2S.C18H17N7O2S/c24-23(25,26)18-11-9-17(10-12-18)21-14-27-22(32-21)28-19-7-4-8-20(13-19)29-33(30,31)15-16-5-2-1-3-6-16;20-11-13-4-6-14(7-5-13)18-12-21-19(25-18)23-16-3-1-2-15(10-16)17-8-9-22-24-17;1-27(2,25)24-15-5-3-4-14(10-15)23-17-22-11-16(26-17)12-6-8-13(9-7-12)18(19,20)21;1-18(19,20)28(25,26)24-15-4-2-3-14(9-15)23-17-22-11-16(27-17)13-7-5-12(10-21)6-8-13;1-26(2,24)23-15-5-3-4-14(9-15)22-18-21-11-17(25-18)12-6-7-13(10-20)16(19)8-12;1-28(2,26)23-15-5-3-4-14(10-15)20-18-19-11-16(27-18)12-6-8-13(9-7-12)17-21-24-25-22-17/h1-14,29H,15H2,(H,27,28);1-7,9-10,12H,8H2,(H,21,23);3-11H,1H2,2H3,(H,22,23)(H,24,25);2-9,11,24H,1H3,(H,22,23);3-9,11H,1H2,2H3,(H,21,22)(H,23,24);3-11H,1H2,2H3,(H,19,20)(H,23,26)(H,21,22,24,25)
• InChIKey: GLVGAQNGUSCYOZ-UHFFFAOYSA-N
• XLogP: 25.98
• TPSA: 558.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.48
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile?

The IUPAC name of N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile (CID 158295218) is N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile.

What is the SMILES notation for N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile?

The canonical SMILES for N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile is C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(-c4nn[nH]n4)cc3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)c(F)c3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1.CC(F)(F)S(=O)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.N#Cc1ccc(-c2cnc(Nc3cccc(C4=NN=CC4)c3)o2)cc1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1.

What is the InChIKey of N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile?

The InChIKey is GLVGAQNGUSCYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S.C19H13N5O.C18H16F3N3O2S.C18H14F2N4O3S.C18H15FN4O2S.C18H17N7O2S/c24-23(25,26)18-11-9-17(10-12-18)21-14-27-22(32-21)28-19-7-4-8-20(13-19)29-33(30,31)15-16-5-2-1-3-6-16;20-11-13-4-6-14(7-5-13)18-12-21-19(25-18)23-16-3-1-2-15(10-16)17-8-9-22-24-17;1-27(2,25)24-15-5-3-4-14(10-15)23-17-22-11-16(26-17)12-6-8-13(9-7-12)18(19,20)21;1-18(19,20)28(25,26)24-15-4-2-3-14(9-15)23-17-22-11-16(27-17)13-7-5-12(10-21)6-8-13;1-26(2,24)23-15-5-3-4-14(9-15)22-18-21-11-17(25-18)12-6-7-13(10-20)16(19)8-12;1-28(2,26)23-15-5-3-4-14(10-15)20-18-19-11-16(27-18)12-6-8-13(9-7-12)17-21-24-25-22-17/h1-14,29H,15H2,(H,27,28);1-7,9-10,12H,8H2,(H,21,23);3-11H,1H2,2H3,(H,22,23)(H,24,25);2-9,11,24H,1H3,(H,22,23);3-9,11H,1H2,2H3,(H,21,22)(H,23,24);3-11H,1H2,2H3,(H,19,20)(H,23,26)(H,21,22,24,25).

What are the key properties of N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile?

N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 2366.48 g/mol, XLogP of 25.98, 33 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]phenyl]-1,1-difluoroethanesulfonamide;2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;1-phenyl-N-[3-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]phenyl]methanesulfonamide;4-[2-[3-(4H-pyrazol-3-yl)anilino]-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 158295218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).