2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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

C96H79F7N22O10S4 — CID 159220808

About 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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

2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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 (PubChem CID 159220808) has the molecular formula C96H79F7N22O10S4 and a molecular weight of 1962.09 g/mol. Its IUPAC name is 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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.

Molecular Properties

• Compound Name: 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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
• PubChem CID: 159220808
• Molecular Formula: C96H79F7N22O10S4
• Molecular Weight: 1962.09 g/mol
• Exact Mass: 1960.51
• IUPAC Name: 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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
• 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.N#Cc1ccc(-c2cnc(Nc3cccc(C4=NC=NC4)c3)o2)cc1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1
• InChI: InChI=1S/C23H18F3N3O3S.C19H13N5O.C18H16F3N3O2S.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;20-9-13-4-6-14(7-5-13)18-11-22-19(25-18)24-16-3-1-2-15(8-16)17-10-21-12-23-17;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;1-26(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);1-8,11-12H,10H2,(H,22,24);3-11H,1H2,2H3,(H,22,23)(H,24,25);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: KRQUJABTZNUTBO-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 450.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1962.09
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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?

The IUPAC name of 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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 (CID 159220808) is 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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.

What is the SMILES notation for 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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?

The canonical SMILES for 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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 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.N#Cc1ccc(-c2cnc(Nc3cccc(C4=NC=NC4)c3)o2)cc1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1.

What is the InChIKey of 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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?

The InChIKey is KRQUJABTZNUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3S.C19H13N5O.C18H16F3N3O2S.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;20-9-13-4-6-14(7-5-13)18-11-22-19(25-18)24-16-3-1-2-15(8-16)17-10-21-12-23-17;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;1-26(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);1-8,11-12H,10H2,(H,22,24);3-11H,1H2,2H3,(H,22,23)(H,24,25);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 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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?

2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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 has a molecular weight of 1962.09 g/mol, XLogP of 21.32, 27 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-(4H-imidazol-5-yl)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 is sourced from PubChem (CID 159220808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).