5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C117H133IN10O16 — CID 157137978

About 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 157137978) has the molecular formula C117H133IN10O16 and a molecular weight of 2062.31 g/mol. Its IUPAC name is 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 157137978
• Molecular Formula: C117H133IN10O16
• Molecular Weight: 2062.31 g/mol
• Exact Mass: 2060.89
• IUPAC Name: 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(C)cc2OCc2ccccc2)c1-c1ccc(C=O)cc1.CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(C)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(C)cc2OCc2ccccc2)c1I.CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
• InChI: InChI=1S/C35H41N3O4.C31H32N2O4.C27H33N3O5.C24H27IN2O3/c1-6-36-34(39)32-31(27-14-12-25(13-15-27)22-38-16-18-40-19-17-38)33(42-37-32)28-21-29(35(3,4)5)24(2)20-30(28)41-23-26-10-8-7-9-11-26;1-6-32-30(35)28-27(23-14-12-21(18-34)13-15-23)29(37-33-28)24-17-25(31(3,4)5)20(2)16-26(24)36-19-22-10-8-7-9-11-22;1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31;1-6-26-23(28)21-20(25)22(30-27-21)17-13-18(24(3,4)5)15(2)12-19(17)29-14-16-10-8-7-9-11-16/h7-15,20-21H,6,16-19,22-23H2,1-5H3,(H,36,39);7-18H,6,19H2,1-5H3,(H,32,35);6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33);7-13H,6,14H2,1-5H3,(H,26,28)
• InChIKey: AJVUTHJDVJLCDI-UHFFFAOYSA-N
• XLogP: 23.71
• TPSA: 330.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.31
LogP ≤ 5	23.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 157137978) is 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(C)cc2OCc2ccccc2)c1-c1ccc(C=O)cc1.CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(C)cc2OCc2ccccc2)c1-c1ccc(CN2CCOCC2)cc1.CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(C)cc2OCc2ccccc2)c1I.CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1.

What is the InChIKey of 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is AJVUTHJDVJLCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O4.C31H32N2O4.C27H33N3O5.C24H27IN2O3/c1-6-36-34(39)32-31(27-14-12-25(13-15-27)22-38-16-18-40-19-17-38)33(42-37-32)28-21-29(35(3,4)5)24(2)20-30(28)41-23-26-10-8-7-9-11-26;1-6-32-30(35)28-27(23-14-12-21(18-34)13-15-23)29(37-33-28)24-17-25(31(3,4)5)20(2)16-26(24)36-19-22-10-8-7-9-11-22;1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31;1-6-26-23(28)21-20(25)22(30-27-21)17-13-18(24(3,4)5)15(2)12-19(17)29-14-16-10-8-7-9-11-16/h7-15,20-21H,6,16-19,22-23H2,1-5H3,(H,36,39);7-18H,6,19H2,1-5H3,(H,32,35);6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33);7-13H,6,14H2,1-5H3,(H,26,28).

What are the key properties of 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide?

5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 2062.31 g/mol, XLogP of 23.71, 29 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-(4-formylphenyl)-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-iodo-1,2-oxazole-3-carboxamide;5-(5-tert-butyl-4-methyl-2-phenylmethoxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157137978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).