5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C30H28F3N3O4 — CID 70168492

About 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 70168492) has the molecular formula C30H28F3N3O4 and a molecular weight of 551.57 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 70168492
• Molecular Formula: C30H28F3N3O4
• Molecular Weight: 551.57 g/mol
• Exact Mass: 551.20
• IUPAC Name: 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
• SMILES: COc1cc(NC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)oc2-c2ccc(NC(C)=O)cc2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C30H28F3N3O4/c1-17(37)34-22-12-8-18(9-13-22)26-25(36-28(40-26)19-6-10-20(11-7-19)29(2,3)4)27(38)35-23-14-21(30(31,32)33)15-24(16-23)39-5/h6-16H,1-5H3,(H,34,37)(H,35,38)
• InChIKey: ZHEFCBAYLARTKX-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.57
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 70168492) is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is COc1cc(NC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)oc2-c2ccc(NC(C)=O)cc2)cc(C(F)(F)F)c1.

What is the InChIKey of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is ZHEFCBAYLARTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O4/c1-17(37)34-22-12-8-18(9-13-22)26-25(36-28(40-26)19-6-10-20(11-7-19)29(2,3)4)27(38)35-23-14-21(30(31,32)33)15-24(16-23)39-5/h6-16H,1-5H3,(H,34,37)(H,35,38).

What are the key properties of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 551.57 g/mol, XLogP of 7.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70168492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).