[3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate

C59H50Cl6N2O8 — CID 161118862

About [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate

[3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate (PubChem CID 161118862) has the molecular formula C59H50Cl6N2O8 and a molecular weight of 1127.77 g/mol. Its IUPAC name is [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate.

Molecular Properties

• Compound Name: [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate
• PubChem CID: 161118862
• Molecular Formula: C59H50Cl6N2O8
• Molecular Weight: 1127.77 g/mol
• Exact Mass: 1124.17
• IUPAC Name: [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate
• SMILES: CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2CC2c2cccc(OC=O)c2)c(Cl)c1.COC(=O)c1cccc(C2CC2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2Cl)c1
• InChI: InChI=1S/C30H26Cl3NO4.C29H24Cl3NO4/c1-16(2)29-23(28(34-38-29)27-24(31)8-5-9-25(27)32)15-37-19-10-11-20(26(33)13-19)22-14-21(22)17-6-4-7-18(12-17)30(35)36-3;1-16(2)29-23(28(33-37-29)27-24(30)7-4-8-25(27)31)14-35-19-9-10-20(26(32)12-19)22-13-21(22)17-5-3-6-18(11-17)36-15-34/h4-13,16,21-22H,14-15H2,1-3H3;3-12,15-16,21-22H,13-14H2,1-2H3
• InChIKey: UKRJQEOUWNFEEO-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 123.12 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.77
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate?

The IUPAC name of [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate (CID 161118862) is [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate.

What is the SMILES notation for [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate?

The canonical SMILES for [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2CC2c2cccc(OC=O)c2)c(Cl)c1.COC(=O)c1cccc(C2CC2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2Cl)c1.

What is the InChIKey of [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate?

The InChIKey is UKRJQEOUWNFEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl3NO4.C29H24Cl3NO4/c1-16(2)29-23(28(34-38-29)27-24(31)8-5-9-25(27)32)15-37-19-10-11-20(26(33)13-19)22-14-21(22)17-6-4-7-18(12-17)30(35)36-3;1-16(2)29-23(28(33-37-29)27-24(30)7-4-8-25(27)31)14-35-19-9-10-20(26(32)12-19)22-13-21(22)17-5-3-6-18(11-17)36-15-34/h4-13,16,21-22H,14-15H2,1-3H3;3-12,15-16,21-22H,13-14H2,1-2H3.

What are the key properties of [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate?

[3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate has a molecular weight of 1127.77 g/mol, XLogP of 17.87, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]phenyl] formate;methyl 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoate is sourced from PubChem (CID 161118862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).