2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile

C94H91F3N16O13 — CID 159770717

About 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile

2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile (PubChem CID 159770717) has the molecular formula C94H91F3N16O13 and a molecular weight of 1709.85 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
• PubChem CID: 159770717
• Molecular Formula: C94H91F3N16O13
• Molecular Weight: 1709.85 g/mol
• Exact Mass: 1708.69
• IUPAC Name: 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
• SMILES: CCOC(=O)Nc1c(C#N)c2ccc([N+](=O)[O-])cc2n1CC.CCc1nnc(-c2cn(CC)c3cc(OC)ccc23)o1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2ccno2)c2ccc(OC)cc21.CCn1cc(-c2ccon2)c2ccc(OC)cc21
• InChI: InChI=1S/C19H15F3N2O2.C18H17N3O.C15H17N3O2.C14H14N4O4.2C14H14N2O2/c1-3-24-17-10-14(25-2)8-9-15(17)16(11-23)18(24)12-4-6-13(7-5-12)26-19(20,21)22;1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-4-14-16-17-15(20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13;1-3-17-12-7-9(18(20)21)5-6-10(12)11(8-15)13(17)16-14(19)22-4-2;1-3-16-9-12(14-6-7-15-18-14)11-5-4-10(17-2)8-13(11)16;1-3-16-9-12(13-6-7-18-15-13)11-5-4-10(17-2)8-14(11)16/h4-10H,3H2,1-2H3;4-10H,3,20H2,1-2H3;6-9H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3,(H,16,19);2*4-9H,3H2,1-2H3
• InChIKey: XDDGWVIVAMOTBM-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 354.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.85
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?

The IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile (CID 159770717) is 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile.

What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?

The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile is CCOC(=O)Nc1c(C#N)c2ccc([N+](=O)[O-])cc2n1CC.CCc1nnc(-c2cn(CC)c3cc(OC)ccc23)o1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OC(F)(F)F)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2ccno2)c2ccc(OC)cc21.CCn1cc(-c2ccon2)c2ccc(OC)cc21.

What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?

The InChIKey is XDDGWVIVAMOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2.C18H17N3O.C15H17N3O2.C14H14N4O4.2C14H14N2O2/c1-3-24-17-10-14(25-2)8-9-15(17)16(11-23)18(24)12-4-6-13(7-5-12)26-19(20,21)22;1-3-21-17-10-14(22-2)8-9-15(17)16(11-19)18(21)12-4-6-13(20)7-5-12;1-4-14-16-17-15(20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13;1-3-17-12-7-9(18(20)21)5-6-10(12)11(8-15)13(17)16-14(19)22-4-2;1-3-16-9-12(14-6-7-15-18-14)11-5-4-10(17-2)8-13(11)16;1-3-16-9-12(13-6-7-18-15-13)11-5-4-10(17-2)8-14(11)16/h4-10H,3H2,1-2H3;4-10H,3,20H2,1-2H3;6-9H,4-5H2,1-3H3;5-7H,3-4H2,1-2H3,(H,16,19);2*4-9H,3H2,1-2H3.

What are the key properties of 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile?

2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile has a molecular weight of 1709.85 g/mol, XLogP of 21.84, 21 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-(3-cyano-1-ethyl-6-nitroindol-2-yl)carbamate;2-ethyl-5-(1-ethyl-6-methoxyindol-3-yl)-1,3,4-oxadiazole;3-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;5-(1-ethyl-6-methoxyindol-3-yl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 159770717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).