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

C110H94N20O12S5 — CID 158436945

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

4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile (PubChem CID 158436945) has the molecular formula C110H94N20O12S5 and a molecular weight of 2048.42 g/mol. Its IUPAC name is 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile
• PubChem CID: 158436945
• Molecular Formula: C110H94N20O12S5
• Molecular Weight: 2048.42 g/mol
• Exact Mass: 2046.60
• IUPAC Name: 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile
• SMILES: C=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)c1
• InChI: InChI=1S/C25H20N4O3S.C24H20N4O3S.C24H20N4O2S.C19H18N4O2S.C18H16N4O2S/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;1-31(29,17-19-6-3-2-4-7-19)28-22-9-5-8-21(14-22)27-24-26-16-23(30-24)20-12-10-18(15-25)11-13-20;1-26(2,24)23-15-8-5-7-14(11-15)21-19-20-12-18(25-19)17-10-13-6-3-4-9-16(13)22-17;1-25(2,23)22-16-5-3-4-15(10-16)21-18-20-12-17(24-18)14-8-6-13(11-19)7-9-14/h1-16,29H,17H2,(H,27,28);1-15,27-28H,16H2,(H,25,26);2-14,16H,1,17H2,(H,26,27)(H,28,29);3-12,22H,1H2,2H3,(H,20,21)(H,23,24);3-10,12H,1H2,2H3,(H,20,21)(H,22,23)
• InChIKey: HCIPCWSYMBLWNN-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 461.99 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2048.42
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

The IUPAC name of 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile (CID 158436945) is 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile.

What is the SMILES notation for 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

The canonical SMILES for 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile is C=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.O=S(=O)(Cc1ccccc1)Nc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)c1.

What is the InChIKey of 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

The InChIKey is HCIPCWSYMBLWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S.C24H20N4O3S.C24H20N4O2S.C19H18N4O2S.C18H16N4O2S/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;1-31(29,17-19-6-3-2-4-7-19)28-22-9-5-8-21(14-22)27-24-26-16-23(30-24)20-12-10-18(15-25)11-13-20;1-26(2,24)23-15-8-5-7-14(11-15)21-19-20-12-18(25-19)17-10-13-6-3-4-9-16(13)22-17;1-25(2,23)22-16-5-3-4-15(10-16)21-18-20-12-17(24-18)14-8-6-13(11-19)7-9-14/h1-16,29H,17H2,(H,27,28);1-15,27-28H,16H2,(H,25,26);2-14,16H,1,17H2,(H,26,27)(H,28,29);3-12,22H,1H2,2H3,(H,20,21)(H,23,24);3-10,12H,1H2,2H3,(H,20,21)(H,22,23).

What are the key properties of 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 2048.42 g/mol, XLogP of 24.15, 31 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;N-[3-[[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]amino]phenyl]-1-phenylmethanesulfonamide;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;N-[3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenyl]-1-phenylmethanesulfonamide;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 158436945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).