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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine

C86H75F3N14O9S3 — CID 158719145

About 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine

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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine (PubChem CID 158719145) has the molecular formula C86H75F3N14O9S3 and a molecular weight of 1601.83 g/mol. Its IUPAC name is 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

• Compound Name: 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
• PubChem CID: 158719145
• Molecular Formula: C86H75F3N14O9S3
• Molecular Weight: 1601.83 g/mol
• Exact Mass: 1600.50
• IUPAC Name: 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
• SMILES: C.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.Cc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)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.C19H18N4O2S.C17H13F3N2O.CH4/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;1-26(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;1-11-3-2-4-14(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);3-12,22H,1H2,2H3,(H,20,21)(H,23,24);2-10H,1H3,(H,21,22);1H4
• InChIKey: IJROYPAKULKODN-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 318.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1601.83
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

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;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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?

The IUPAC name of 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine (CID 158719145) is 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine.

What is the SMILES notation for 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?

The canonical SMILES for 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine is C.C=S(C)(=O)Nc1cccc(Nc2ncc(-c3cc4ccccc4[nH]3)o2)c1.Cc1cccc(Nc2ncc(-c3ccc(C(F)(F)F)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 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?

The InChIKey is IJROYPAKULKODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S.C24H20N4O3S.C19H18N4O2S.C17H13F3N2O.CH4/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;1-26(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;1-11-3-2-4-14(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);3-12,22H,1H2,2H3,(H,20,21)(H,23,24);2-10H,1H3,(H,21,22);1H4.

What are the key properties of 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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?

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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine has a molecular weight of 1601.83 g/mol, XLogP of 21.37, 22 rotatable bonds, 9 hydrogen bond donors, and 18 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;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;methane;N-(3-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 158719145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).