4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one

C105H86BrCl12F4N9O17 — CID 165076416

About 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one

4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one (PubChem CID 165076416) has the molecular formula C105H86BrCl12F4N9O17 and a molecular weight of 2327.22 g/mol. Its IUPAC name is 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one.

Molecular Properties

• Compound Name: 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one
• PubChem CID: 165076416
• Molecular Formula: C105H86BrCl12F4N9O17
• Molecular Weight: 2327.22 g/mol
• Exact Mass: 2319.15
• IUPAC Name: 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one
• SMILES: COc1ncc(C)cc1C1CC(=O)C1.COc1ncc(C)cc1C1CC(O)(c2ccc(OCc3c(C4CC4)cnn3-c3c(Cl)cc(F)cc3Cl)cc2Cl)C1.COc1ncccc1C1CC(O)(c2ccc(OCc3c(C4CC4)cnn3-c3c(Cl)cc(F)cc3Cl)cc2Cl)C1.Fc1cc(Cl)c(-c2noc(C3CC3)c2CCl)c(Cl)c1.Fc1cc(Cl)c(-c2noc(C3CC3)c2COc2ccc(Br)c(Cl)c2)c(Cl)c1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C30H27Cl3FN3O3.C29H25Cl3FN3O3.C19H12BrCl3FNO2.C13H9Cl3FNO.C11H13NO2.3CO2/c1-16-7-21(29(39-2)35-13-16)18-11-30(38,12-18)23-6-5-20(10-24(23)31)40-15-27-22(17-3-4-17)14-36-37(27)28-25(32)8-19(34)9-26(28)33;1-38-28-20(3-2-8-34-28)17-12-29(37,13-17)22-7-6-19(11-23(22)30)39-15-26-21(16-4-5-16)14-35-36(26)27-24(31)9-18(33)10-25(27)32;20-13-4-3-11(7-14(13)21)26-8-12-18(25-27-19(12)9-1-2-9)17-15(22)5-10(24)6-16(17)23;14-5-8-12(18-19-13(8)6-1-2-6)11-9(15)3-7(17)4-10(11)16;1-7-3-10(8-4-9(13)5-8)11(14-2)12-6-7;3*2-1-3/h5-10,13-14,17-18,38H,3-4,11-12,15H2,1-2H3;2-3,6-11,14,16-17,37H,4-5,12-13,15H2,1H3;3-7,9H,1-2,8H2;3-4,6H,1-2,5H2;3,6,8H,4-5H2,1-2H3
• InChIKey: UJMGFJAHIAOBFR-UHFFFAOYSA-N
• XLogP: 28.66
• TPSA: 341.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2327.22
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one?

The IUPAC name of 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one (CID 165076416) is 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one.

What is the SMILES notation for 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one?

The canonical SMILES for 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one is COc1ncc(C)cc1C1CC(=O)C1.COc1ncc(C)cc1C1CC(O)(c2ccc(OCc3c(C4CC4)cnn3-c3c(Cl)cc(F)cc3Cl)cc2Cl)C1.COc1ncccc1C1CC(O)(c2ccc(OCc3c(C4CC4)cnn3-c3c(Cl)cc(F)cc3Cl)cc2Cl)C1.Fc1cc(Cl)c(-c2noc(C3CC3)c2CCl)c(Cl)c1.Fc1cc(Cl)c(-c2noc(C3CC3)c2COc2ccc(Br)c(Cl)c2)c(Cl)c1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one?

The InChIKey is UJMGFJAHIAOBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl3FN3O3.C29H25Cl3FN3O3.C19H12BrCl3FNO2.C13H9Cl3FNO.C11H13NO2.3CO2/c1-16-7-21(29(39-2)35-13-16)18-11-30(38,12-18)23-6-5-20(10-24(23)31)40-15-27-22(17-3-4-17)14-36-37(27)28-25(32)8-19(34)9-26(28)33;1-38-28-20(3-2-8-34-28)17-12-29(37,13-17)22-7-6-19(11-23(22)30)39-15-26-21(16-4-5-16)14-35-36(26)27-24(31)9-18(33)10-25(27)32;20-13-4-3-11(7-14(13)21)26-8-12-18(25-27-19(12)9-1-2-9)17-15(22)5-10(24)6-16(17)23;14-5-8-12(18-19-13(8)6-1-2-6)11-9(15)3-7(17)4-10(11)16;1-7-3-10(8-4-9(13)5-8)11(14-2)12-6-7;3*2-1-3/h5-10,13-14,17-18,38H,3-4,11-12,15H2,1-2H3;2-3,6-11,14,16-17,37H,4-5,12-13,15H2,1H3;3-7,9H,1-2,8H2;3-4,6H,1-2,5H2;3,6,8H,4-5H2,1-2H3;;;.

What are the key properties of 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one?

4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one has a molecular weight of 2327.22 g/mol, XLogP of 28.66, 26 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-bromo-3-chlorophenoxy)methyl]-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;tris(carbon dioxide);1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-ol;1-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-(2-methoxy-3-pyridinyl)cyclobutan-1-ol;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-1,2-oxazole;3-(2-methoxy-5-methyl-3-pyridinyl)cyclobutan-1-one is sourced from PubChem (CID 165076416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).