4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride

C179H206BBrClN13O23 — CID 158060458

About 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride

4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride (PubChem CID 158060458) has the molecular formula C179H206BBrClN13O23 and a molecular weight of 3033.85 g/mol. Its IUPAC name is 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride
• PubChem CID: 158060458
• Molecular Formula: C179H206BBrClN13O23
• Molecular Weight: 3033.85 g/mol
• Exact Mass: 3030.43
• IUPAC Name: 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride
• SMILES: C.C.C.C.C1COCCO1.CC1(C)OB(c2ccc(CN3CCOCC3)cc2)OC1(C)C.CCNC(=O)c1cc(-c2cc(/C=C/c3ccccc3)c(C)cc2OCc2ccccc2)on1.CCNC(=O)c1cc(-c2cc(CCc3ccccc3)c(C)cc2OCc2ccccc2)on1.CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(C)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(C)cc2OCc2ccccc2)c1Br.CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.Cl
• InChI: InChI=1S/C39H41N3O4.C31H33N3O5.C28H27BrN2O3.C28H28N2O3.C28H26N2O3.C17H26BNO3.C4H8O2.4CH4.ClH/c1-3-40-39(43)37-36(32-17-15-30(16-18-32)26-42-20-22-44-23-21-42)38(46-41-37)34-25-33(19-14-29-10-6-4-7-11-29)28(2)24-35(34)45-27-31-12-8-5-9-13-31;1-2-32-31(37)29-28(23-11-9-22(10-12-23)20-34-14-16-38-17-15-34)30(39-33-29)25-18-24(26(35)19-27(25)36)13-8-21-6-4-3-5-7-21;1-3-30-28(32)26-25(29)27(34-31-26)23-17-22(15-14-20-10-6-4-7-11-20)19(2)16-24(23)33-18-21-12-8-5-9-13-21;2*1-3-29-28(31)25-18-27(33-30-25)24-17-23(15-14-21-10-6-4-7-11-21)20(2)16-26(24)32-19-22-12-8-5-9-13-22;1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19;1-2-6-4-3-5-1;;;;;/h4-13,15-18,24-25H,3,14,19-23,26-27H2,1-2H3,(H,40,43);3-7,9-12,18-19,35-36H,2,8,13-17,20H2,1H3,(H,32,37);4-13,16-17H,3,14-15,18H2,1-2H3,(H,30,32);4-13,16-18H,3,14-15,19H2,1-2H3,(H,29,31);4-18H,3,19H2,1-2H3,(H,29,31);5-8H,9-13H2,1-4H3;1-4H2;4*1H4;1H/b;;;;15-14+
• InChIKey: NVUMEIQVRDWYIB-SYZFBLTISA-N
• XLogP: 35.31
• TPSA: 427.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 50
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3033.85
LogP ≤ 5	35.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride?

The IUPAC name of 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride (CID 158060458) is 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride.

What is the SMILES notation for 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride?

The canonical SMILES for 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride is C.C.C.C.C1COCCO1.CC1(C)OB(c2ccc(CN3CCOCC3)cc2)OC1(C)C.CCNC(=O)c1cc(-c2cc(/C=C/c3ccccc3)c(C)cc2OCc2ccccc2)on1.CCNC(=O)c1cc(-c2cc(CCc3ccccc3)c(C)cc2OCc2ccccc2)on1.CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(C)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(C)cc2OCc2ccccc2)c1Br.CCNC(=O)c1noc(-c2cc(CCc3ccccc3)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.Cl.

What is the InChIKey of 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride?

The InChIKey is NVUMEIQVRDWYIB-SYZFBLTISA-N. The full InChI is InChI=1S/C39H41N3O4.C31H33N3O5.C28H27BrN2O3.C28H28N2O3.C28H26N2O3.C17H26BNO3.C4H8O2.4CH4.ClH/c1-3-40-39(43)37-36(32-17-15-30(16-18-32)26-42-20-22-44-23-21-42)38(46-41-37)34-25-33(19-14-29-10-6-4-7-11-29)28(2)24-35(34)45-27-31-12-8-5-9-13-31;1-2-32-31(37)29-28(23-11-9-22(10-12-23)20-34-14-16-38-17-15-34)30(39-33-29)25-18-24(26(35)19-27(25)36)13-8-21-6-4-3-5-7-21;1-3-30-28(32)26-25(29)27(34-31-26)23-17-22(15-14-20-10-6-4-7-11-20)19(2)16-24(23)33-18-21-12-8-5-9-13-21;2*1-3-29-28(31)25-18-27(33-30-25)24-17-23(15-14-21-10-6-4-7-11-21)20(2)16-26(24)32-19-22-12-8-5-9-13-22;1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19;1-2-6-4-3-5-1;;;;;/h4-13,15-18,24-25H,3,14,19-23,26-27H2,1-2H3,(H,40,43);3-7,9-12,18-19,35-36H,2,8,13-17,20H2,1H3,(H,32,37);4-13,16-17H,3,14-15,18H2,1-2H3,(H,30,32);4-13,16-18H,3,14-15,19H2,1-2H3,(H,29,31);4-18H,3,19H2,1-2H3,(H,29,31);5-8H,9-13H2,1-4H3;1-4H2;4*1H4;1H/b;;;;15-14+;;;;;;;.

What are the key properties of 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride?

4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride has a molecular weight of 3033.85 g/mol, XLogP of 35.31, 50 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;5-[2,4-dihydroxy-5-(2-phenylethyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;1,4-dioxane;N-ethyl-5-[4-methyl-5-[(E)-2-phenylethenyl]-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;N-ethyl-5-[4-methyl-5-(2-phenylethyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide;methane;4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 158060458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).