N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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

C126H100F9N21O13S4 — CID 161276742

About N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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 161276742) has the molecular formula C126H100F9N21O13S4 and a molecular weight of 2415.57 g/mol. Its IUPAC name is N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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: 161276742
• Molecular Formula: C126H100F9N21O13S4
• Molecular Weight: 2415.57 g/mol
• Exact Mass: 2413.65
• IUPAC Name: N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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(C(F)(F)F)cc3)o2)c1.Cc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1.N#Cc1ccc(-c2cnc(Nc3cccc(C4=NN=CC4)c3)o2)cc1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)c1
• InChI: InChI=1S/C25H20N4O3S.C24H20N4O3S.C23H18F3N3O3S.C19H13N5O.C18H16F3N3O2S.C17H13F3N2O/c30-33(31,17-18-5-2-1-3-6-18)29-23-8-4-7-22(14-23)28-25-27-16-24(32-25)20-9-10-21-15-26-12-11-19(21)13-20;29-32(30,16-17-7-2-1-3-8-17)28-20-11-6-10-19(14-20)26-24-25-15-23(31-24)22-13-18-9-4-5-12-21(18)27-22;24-23(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;1-11-3-2-4-14(9-11)22-16-21-10-15(23-16)12-5-7-13(8-6-12)17(18,19)20/h1-16,29H,17H2,(H,27,28);1-15,27-28H,16H2,(H,25,26);1-14,29H,15H2,(H,27,28);1-7,9-10,12H,8H2,(H,21,23);3-11H,1H2,2H3,(H,22,23)(H,24,25);2-10H,1H3,(H,21,22)
• InChIKey: VENOOAOZFZSJLV-UHFFFAOYSA-N
• XLogP: 31.45
• TPSA: 473.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.57
LogP ≤ 5	31.45
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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 161276742) is N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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(C(F)(F)F)cc3)o2)c1.Cc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1.N#Cc1ccc(-c2cnc(Nc3cccc(C4=NN=CC4)c3)o2)cc1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)c1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)c1.

What is the InChIKey of N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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 VENOOAOZFZSJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S.C24H20N4O3S.C23H18F3N3O3S.C19H13N5O.C18H16F3N3O2S.C17H13F3N2O/c30-33(31,17-18-5-2-1-3-6-18)29-23-8-4-7-22(14-23)28-25-27-16-24(32-25)20-9-10-21-15-26-12-11-19(21)13-20;29-32(30,16-17-7-2-1-3-8-17)28-20-11-6-10-19(14-20)26-24-25-15-23(31-24)22-13-18-9-4-5-12-21(18)27-22;24-23(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;1-11-3-2-4-14(9-11)22-16-21-10-15(23-16)12-5-7-13(8-6-12)17(18,19)20/h1-16,29H,17H2,(H,27,28);1-15,27-28H,16H2,(H,25,26);1-14,29H,15H2,(H,27,28);1-7,9-10,12H,8H2,(H,21,23);3-11H,1H2,2H3,(H,22,23)(H,24,25);2-10H,1H3,(H,21,22).

What are the key properties of N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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 2415.57 g/mol, XLogP of 31.45, 33 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;3-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1-N-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]benzene-1,3-diamine;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine;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 161276742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).