propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate

C166H172N28O21S2 — CID 158563461

About propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate (PubChem CID 158563461) has the molecular formula C166H172N28O21S2 and a molecular weight of 2959.51 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate
• PubChem CID: 158563461
• Molecular Formula: C166H172N28O21S2
• Molecular Weight: 2959.51 g/mol
• Exact Mass: 2957.27
• IUPAC Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1C.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1
• InChI: InChI=1S/C29H33N3O5S.2C28H29N5O3.C27H27N5O4.C27H27N5O3S.C27H27N5O3/c1-19(2)37-29(33)31-21-8-6-20(7-9-21)28-26(15-30)25-11-10-23(14-27(25)32(28)22-4-3-5-22)36-12-13-38-24-16-34-18-35-17-24;1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-18(3)16-32(27)4)14-25(23)33(26)21-6-5-7-21;1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-16-18(3)32(27)4)14-25(23)33(26)21-6-5-7-21;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)31-36-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)29-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-31-30-17(3)36-25)13-24(22)32(26)20-5-4-6-20;1-17(2)34-27(33)30-19-9-7-18(8-10-19)25-23(16-28)22-12-11-21(35-26-29-13-14-31(26)3)15-24(22)32(25)20-5-4-6-20/h6-11,14,19,22,24H,3-5,12-13,16-18H2,1-2H3,(H,31,33);2*8-14,16-17,21H,5-7H2,1-4H3,(H,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);7-13,16,20H,4-6,15H2,1-3H3,(H,29,33);7-15,17,20H,4-6H2,1-3H3,(H,30,33)
• InChIKey: HREGBXPIZFKZBY-UHFFFAOYSA-N
• XLogP: 38.86
• TPSA: 594.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 41
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2959.51
LogP ≤ 5	38.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate (CID 158563461) is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1C.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.

What is the InChIKey of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate?

The InChIKey is HREGBXPIZFKZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O5S.2C28H29N5O3.C27H27N5O4.C27H27N5O3S.C27H27N5O3/c1-19(2)37-29(33)31-21-8-6-20(7-9-21)28-26(15-30)25-11-10-23(14-27(25)32(28)22-4-3-5-22)36-12-13-38-24-16-34-18-35-17-24;1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-18(3)16-32(27)4)14-25(23)33(26)21-6-5-7-21;1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-16-18(3)32(27)4)14-25(23)33(26)21-6-5-7-21;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)31-36-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)29-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-31-30-17(3)36-25)13-24(22)32(26)20-5-4-6-20;1-17(2)34-27(33)30-19-9-7-18(8-10-19)25-23(16-28)22-12-11-21(35-26-29-13-14-31(26)3)15-24(22)32(25)20-5-4-6-20/h6-11,14,19,22,24H,3-5,12-13,16-18H2,1-2H3,(H,31,33);2*8-14,16-17,21H,5-7H2,1-4H3,(H,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);7-13,16,20H,4-6,15H2,1-3H3,(H,29,33);7-15,17,20H,4-6H2,1-3H3,(H,30,33).

What are the key properties of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate?

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 2959.51 g/mol, XLogP of 38.86, 41 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158563461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).