5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid

C196H203BIN13O31 — CID 157383577

About 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid (PubChem CID 157383577) has the molecular formula C196H203BIN13O31 and a molecular weight of 3374.56 g/mol. Its IUPAC name is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid.

Molecular Properties

• Compound Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid
• PubChem CID: 157383577
• Molecular Formula: C196H203BIN13O31
• Molecular Weight: 3374.56 g/mol
• Exact Mass: 3372.38
• IUPAC Name: 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid
• SMILES: CCNC(=O)c1cc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(C=O)cc1.CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1I.CCOC(=O)c1cc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1.O=Cc1ccc(B(O)O)cc1
• InChI: InChI=1S/C40H43N3O5.C36H34N2O5.C29H29IN2O4.C29H30N2O4.C29H29NO5.C26H31N3O5.C7H7BO3/c1-4-41-40(44)38-37(32-17-15-29(16-18-32)25-43-19-21-45-22-20-43)39(48-42-38)34-23-33(28(2)3)35(46-26-30-11-7-5-8-12-30)24-36(34)47-27-31-13-9-6-10-14-31;1-4-37-36(40)34-33(28-17-15-25(21-39)16-18-28)35(43-38-34)30-19-29(24(2)3)31(41-22-26-11-7-5-8-12-26)20-32(30)42-23-27-13-9-6-10-14-27;1-4-31-29(33)27-26(30)28(36-32-27)23-15-22(19(2)3)24(34-17-20-11-7-5-8-12-20)16-25(23)35-18-21-13-9-6-10-14-21;1-4-30-29(32)25-16-28(35-31-25)24-15-23(20(2)3)26(33-18-21-11-7-5-8-12-21)17-27(24)34-19-22-13-9-6-10-14-22;1-4-32-29(31)25-16-28(35-30-25)24-15-23(20(2)3)26(33-18-21-11-7-5-8-12-21)17-27(24)34-19-22-13-9-6-10-14-22;1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31;9-5-6-1-3-7(4-2-6)8(10)11/h5-18,23-24,28H,4,19-22,25-27H2,1-3H3,(H,41,44);5-21,24H,4,22-23H2,1-3H3,(H,37,40);5-16,19H,4,17-18H2,1-3H3,(H,31,33);5-17,20H,4,18-19H2,1-3H3,(H,30,32);5-17,20H,4,18-19H2,1-3H3;5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32);1-5,10-11H
• InChIKey: BLDZGAXZVSEYPG-UHFFFAOYSA-N
• XLogP: 39.18
• TPSA: 560.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 64
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3374.56
LogP ≤ 5	39.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid?

The IUPAC name of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid (CID 157383577) is 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid.

What is the SMILES notation for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid?

The canonical SMILES for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid is CCNC(=O)c1cc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1.CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(C=O)cc1.CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1I.CCOC(=O)c1cc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1.O=Cc1ccc(B(O)O)cc1.

What is the InChIKey of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid?

The InChIKey is BLDZGAXZVSEYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43N3O5.C36H34N2O5.C29H29IN2O4.C29H30N2O4.C29H29NO5.C26H31N3O5.C7H7BO3/c1-4-41-40(44)38-37(32-17-15-29(16-18-32)25-43-19-21-45-22-20-43)39(48-42-38)34-23-33(28(2)3)35(46-26-30-11-7-5-8-12-30)24-36(34)47-27-31-13-9-6-10-14-31;1-4-37-36(40)34-33(28-17-15-25(21-39)16-18-28)35(43-38-34)30-19-29(24(2)3)31(41-22-26-11-7-5-8-12-26)20-32(30)42-23-27-13-9-6-10-14-27;1-4-31-29(33)27-26(30)28(36-32-27)23-15-22(19(2)3)24(34-17-20-11-7-5-8-12-20)16-25(23)35-18-21-13-9-6-10-14-21;1-4-30-29(32)25-16-28(35-31-25)24-15-23(20(2)3)26(33-18-21-11-7-5-8-12-21)17-27(24)34-19-22-13-9-6-10-14-22;1-4-32-29(31)25-16-28(35-30-25)24-15-23(20(2)3)26(33-18-21-11-7-5-8-12-21)17-27(24)34-19-22-13-9-6-10-14-22;1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31;9-5-6-1-3-7(4-2-6)8(10)11/h5-18,23-24,28H,4,19-22,25-27H2,1-3H3,(H,41,44);5-21,24H,4,22-23H2,1-3H3,(H,37,40);5-16,19H,4,17-18H2,1-3H3,(H,31,33);5-17,20H,4,18-19H2,1-3H3,(H,30,32);5-17,20H,4,18-19H2,1-3H3;5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32);1-5,10-11H.

What are the key properties of 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid?

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid has a molecular weight of 3374.56 g/mol, XLogP of 39.18, 64 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;ethyl 5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylate;(4-formylphenyl)boronic acid is sourced from PubChem (CID 157383577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).