2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate

C60H60Cl4N8O7 — CID 165026971

About 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate

2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate (PubChem CID 165026971) has the molecular formula C60H60Cl4N8O7 and a molecular weight of 1147.00 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate.

Molecular Properties

• Compound Name: 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate
• PubChem CID: 165026971
• Molecular Formula: C60H60Cl4N8O7
• Molecular Weight: 1147.00 g/mol
• Exact Mass: 1144.33
• IUPAC Name: 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate
• SMILES: COC(=O)c1cn(C)c2cc(N3C[C@H]4C[C@@H]3CN4)ccc12.COC(=O)c1cn(C)c2cc(N3C[C@H]4C[C@@H]3CN4CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc12.O=CCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1
• InChI: InChI=1S/C30H30Cl2N4O3.C16H19N3O2.C14H11Cl2NO2/c1-34-16-23(30(37)38-2)21-9-8-18(13-26(21)34)36-15-19-12-20(36)14-35(19)11-10-22-28(33-39-29(22)17-6-7-17)27-24(31)4-3-5-25(27)32;1-18-9-14(16(20)21-2)13-4-3-11(6-15(13)18)19-8-10-5-12(19)7-17-10;15-10-2-1-3-11(16)12(10)13-9(6-7-18)14(19-17-13)8-4-5-8/h3-5,8-9,13,16-17,19-20H,6-7,10-12,14-15H2,1-2H3;3-4,6,9-10,12,17H,5,7-8H2,1-2H3;1-3,7-8H,4-6H2/t19-,20-;10-,12-;/m11./s1
• InChIKey: MAVXEBVOIZSEGQ-SLGHHOOASA-N
• XLogP: 12.09
• TPSA: 153.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1147.00
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate?

The IUPAC name of 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate (CID 165026971) is 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate.

What is the SMILES notation for 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate?

The canonical SMILES for 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate is COC(=O)c1cn(C)c2cc(N3C[C@H]4C[C@@H]3CN4)ccc12.COC(=O)c1cn(C)c2cc(N3C[C@H]4C[C@@H]3CN4CCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)ccc12.O=CCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1.

What is the InChIKey of 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate?

The InChIKey is MAVXEBVOIZSEGQ-SLGHHOOASA-N. The full InChI is InChI=1S/C30H30Cl2N4O3.C16H19N3O2.C14H11Cl2NO2/c1-34-16-23(30(37)38-2)21-9-8-18(13-26(21)34)36-15-19-12-20(36)14-35(19)11-10-22-28(33-39-29(22)17-6-7-17)27-24(31)4-3-5-25(27)32;1-18-9-14(16(20)21-2)13-4-3-11(6-15(13)18)19-8-10-5-12(19)7-17-10;15-10-2-1-3-11(16)12(10)13-9(6-7-18)14(19-17-13)8-4-5-8/h3-5,8-9,13,16-17,19-20H,6-7,10-12,14-15H2,1-2H3;3-4,6,9-10,12,17H,5,7-8H2,1-2H3;1-3,7-8H,4-6H2/t19-,20-;10-,12-;/m11./s1.

What are the key properties of 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate?

2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate has a molecular weight of 1147.00 g/mol, XLogP of 12.09, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetaldehyde;methyl 6-[(1R,4R)-5-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate;methyl 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-methylindole-3-carboxylate is sourced from PubChem (CID 165026971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).