4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride

C85H97Br3Cl9N9O10S2 — CID 159120816

About 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride

4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride (PubChem CID 159120816) has the molecular formula C85H97Br3Cl9N9O10S2 and a molecular weight of 2029.70 g/mol. Its IUPAC name is 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride.

Molecular Properties

• Compound Name: 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride
• PubChem CID: 159120816
• Molecular Formula: C85H97Br3Cl9N9O10S2
• Molecular Weight: 2029.70 g/mol
• Exact Mass: 2021.16
• IUPAC Name: 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride
• SMILES: Brc1csc(Br)n1.C.CC(C)(C)OC(=O)N1CCC(O)CC1.ClCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1.Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCCCC1.Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCN(c2nc(Br)cs2)CC1.Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCNCC1.[H][3H]
• InChI: InChI=1S/C21H20BrCl2N3O2S.C19H21Cl2NO2.C18H20Cl2N2O2.C13H10Cl3NO.C10H19NO3.C3HBr2NS.CH4.H2/c22-17-11-30-21(25-17)27-8-6-13(7-9-27)28-10-14-19(26-29-20(14)12-4-5-12)18-15(23)2-1-3-16(18)24;20-15-7-4-8-16(21)17(15)18-14(19(24-22-18)12-9-10-12)11-23-13-5-2-1-3-6-13;19-14-2-1-3-15(20)16(14)17-13(18(24-22-17)11-4-5-11)10-23-12-6-8-21-9-7-12;14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;4-2-1-7-3(5)6-2;;/h1-3,11-13H,4-10H2;4,7-8,12-13H,1-3,5-6,9-11H2;1-3,11-12,21H,4-10H2;1-3,7H,4-6H2;8,12H,4-7H2,1-3H3;1H;1H4;1H/i;;;;;;;1+2
• InChIKey: KFRCGRUFXFUCFQ-BHLIMWMTSA-N
• XLogP: 28.29
• TPSA: 222.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.70
LogP ≤ 5	28.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride?

The IUPAC name of 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride (CID 159120816) is 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride.

What is the SMILES notation for 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride?

The canonical SMILES for 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride is Brc1csc(Br)n1.C.CC(C)(C)OC(=O)N1CCC(O)CC1.ClCc1c(-c2c(Cl)cccc2Cl)noc1C1CC1.Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCCCC1.Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCN(c2nc(Br)cs2)CC1.Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCNCC1.[H][3H].

What is the InChIKey of 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride?

The InChIKey is KFRCGRUFXFUCFQ-BHLIMWMTSA-N. The full InChI is InChI=1S/C21H20BrCl2N3O2S.C19H21Cl2NO2.C18H20Cl2N2O2.C13H10Cl3NO.C10H19NO3.C3HBr2NS.CH4.H2/c22-17-11-30-21(25-17)27-8-6-13(7-9-27)28-10-14-19(26-29-20(14)12-4-5-12)18-15(23)2-1-3-16(18)24;20-15-7-4-8-16(21)17(15)18-14(19(24-22-18)12-9-10-12)11-23-13-5-2-1-3-6-13;19-14-2-1-3-15(20)16(14)17-13(18(24-22-17)11-4-5-11)10-23-12-6-8-21-9-7-12;14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;4-2-1-7-3(5)6-2;;/h1-3,11-13H,4-10H2;4,7-8,12-13H,1-3,5-6,9-11H2;1-3,11-12,21H,4-10H2;1-3,7H,4-6H2;8,12H,4-7H2,1-3H3;1H;1H4;1H/i;;;;;;;1+2.

What are the key properties of 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride?

4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride has a molecular weight of 2029.70 g/mol, XLogP of 28.29, 19 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]oxymethyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;tert-butyl 4-hydroxypiperidine-1-carboxylate;4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;4-(cyclohexyloxymethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(piperidin-4-yloxymethyl)-1,2-oxazole;2,4-dibromo-1,3-thiazole;methane;tritium monohydride is sourced from PubChem (CID 159120816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).