dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate

C93H115BrCs2N8O15 — CID 158914559

About dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate

dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate (PubChem CID 158914559) has the molecular formula C93H115BrCs2N8O15 and a molecular weight of 1930.70 g/mol. Its IUPAC name is dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate.

Molecular Properties

• Compound Name: dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate
• PubChem CID: 158914559
• Molecular Formula: C93H115BrCs2N8O15
• Molecular Weight: 1930.70 g/mol
• Exact Mass: 1928.58
• IUPAC Name: dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate
• SMILES: CCNC(=O)c1onc(-c2cc(C(C)C)c(C)cc2C)c1-c1ccc2c(c1)CCN(CCOC)C2.CCNC(=O)c1onc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1-c1ccc2c(c1)CCCC2.CCNC(=O)c1onc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(CCOC)C2.COCCBr.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C33H36N2O3.C29H37N3O3.C27H33N3O5.C3H7BrO.CH2O3.2Cs.H/c1-5-34-33(36)32-30(26-16-15-24-13-9-10-14-25(24)18-26)31(35-38-32)28-19-27(21(2)3)22(4)17-29(28)37-20-23-11-7-6-8-12-23;1-7-30-29(33)28-26(22-8-9-23-17-32(12-13-34-6)11-10-21(23)15-22)27(31-35-28)25-16-24(18(2)3)19(4)14-20(25)5;1-5-28-27(33)26-24(18-6-7-19-15-30(10-11-34-4)9-8-17(19)12-18)25(29-35-26)21-13-20(16(2)3)22(31)14-23(21)32;1-5-3-2-4;2-1-4-3;;;/h6-8,11-12,15-19,21H,5,9-10,13-14,20H2,1-4H3,(H,34,36);8-9,14-16,18H,7,10-13,17H2,1-6H3,(H,30,33);6-7,12-14,16,31-32H,5,8-11,15H2,1-4H3,(H,28,33);2-3H2,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: CIGDPDIRCMIHFF-UHFFFAOYSA-M
• XLogP: 11.03
• TPSA: 298.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.70
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate?

The IUPAC name of dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate (CID 158914559) is dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate.

What is the SMILES notation for dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate?

The canonical SMILES for dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate is CCNC(=O)c1onc(-c2cc(C(C)C)c(C)cc2C)c1-c1ccc2c(c1)CCN(CCOC)C2.CCNC(=O)c1onc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1-c1ccc2c(c1)CCCC2.CCNC(=O)c1onc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)CCN(CCOC)C2.COCCBr.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate?

The InChIKey is CIGDPDIRCMIHFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H36N2O3.C29H37N3O3.C27H33N3O5.C3H7BrO.CH2O3.2Cs.H/c1-5-34-33(36)32-30(26-16-15-24-13-9-10-14-25(24)18-26)31(35-38-32)28-19-27(21(2)3)22(4)17-29(28)37-20-23-11-7-6-8-12-23;1-7-30-29(33)28-26(22-8-9-23-17-32(12-13-34-6)11-10-21(23)15-22)27(31-35-28)25-16-24(18(2)3)19(4)14-20(25)5;1-5-28-27(33)26-24(18-6-7-19-15-30(10-11-34-4)9-8-17(19)12-18)25(29-35-26)21-13-20(16(2)3)22(31)14-23(21)32;1-5-3-2-4;2-1-4-3;;;/h6-8,11-12,15-19,21H,5,9-10,13-14,20H2,1-4H3,(H,34,36);8-9,14-16,18H,7,10-13,17H2,1-6H3,(H,30,33);6-7,12-14,16,31-32H,5,8-11,15H2,1-4H3,(H,28,33);2-3H2,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate?

dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate has a molecular weight of 1930.70 g/mol, XLogP of 11.03, 27 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;1-bromo-2-methoxyethane;3-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;3-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-5-carboxamide;N-ethyl-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxamide;hydride;oxido formate is sourced from PubChem (CID 158914559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).