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

C115H97N21O9S3 — CID 159664572

About 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile (PubChem CID 159664572) has the molecular formula C115H97N21O9S3 and a molecular weight of 2013.38 g/mol. Its IUPAC name is 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile
• PubChem CID: 159664572
• Molecular Formula: C115H97N21O9S3
• Molecular Weight: 2013.38 g/mol
• Exact Mass: 2011.69
• IUPAC Name: 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;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.Cc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.Cc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.Cc1cccc(Nc2ncc(-c3ccc4cnccc4c3)o2)c1
• InChI: InChI=1S/C24H20N4O2S.C19H18N4O2S.C19H15N3O.C18H16N4O2S.C18H15N3O.C17H13N3O/c1-31(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;1-13-3-2-4-17(9-13)22-19-21-12-18(23-19)15-5-6-16-11-20-8-7-14(16)10-15;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;1-12-5-4-7-14(9-12)20-18-19-11-17(22-18)16-10-13-6-2-3-8-15(13)21-16;1-12-3-2-4-15(9-12)20-17-19-11-16(21-17)14-7-5-13(10-18)6-8-14/h2-14,16H,1,17H2,(H,26,27)(H,28,29);3-12,22H,1H2,2H3,(H,20,21)(H,23,24);2-12H,1H3,(H,21,22);3-10,12H,1H2,2H3,(H,20,21)(H,22,23);2-11,21H,1H3,(H,19,20);2-9,11H,1H3,(H,19,20)
• InChIKey: MTFVYPFCNSPICQ-UHFFFAOYSA-N
• XLogP: 27.15
• TPSA: 431.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.38
LogP ≤ 5	27.15
H-Bond Donors ≤ 5	11
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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile (CID 159664572) is 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;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.Cc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.Cc1cccc(Nc2ncc(-c3ccc(C#N)cc3)o2)c1.Cc1cccc(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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile?

The InChIKey is MTFVYPFCNSPICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S.C19H18N4O2S.C19H15N3O.C18H16N4O2S.C18H15N3O.C17H13N3O/c1-31(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;1-13-3-2-4-17(9-13)22-19-21-12-18(23-19)15-5-6-16-11-20-8-7-14(16)10-15;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;1-12-5-4-7-14(9-12)20-18-19-11-17(22-18)16-10-13-6-2-3-8-15(13)21-16;1-12-3-2-4-15(9-12)20-17-19-11-16(21-17)14-7-5-13(10-18)6-8-14/h2-14,16H,1,17H2,(H,26,27)(H,28,29);3-12,22H,1H2,2H3,(H,20,21)(H,23,24);2-12H,1H3,(H,21,22);3-10,12H,1H2,2H3,(H,20,21)(H,22,23);2-11,21H,1H3,(H,19,20);2-9,11H,1H3,(H,19,20).

What are the key properties of 4-[2-[3-[(benzyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile has a molecular weight of 2013.38 g/mol, XLogP of 27.15, 26 rotatable bonds, 11 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;5-(1H-indol-2-yl)-N-(3-methylphenyl)-1,3-oxazol-2-amine;1-N-[5-(1H-indol-2-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine;5-isoquinolin-6-yl-N-(3-methylphenyl)-1,3-oxazol-2-amine;4-[2-(3-methylanilino)-1,3-oxazol-5-yl]benzonitrile;4-[2-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]anilino]-1,3-oxazol-5-yl]benzonitrile is sourced from PubChem (CID 159664572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).