5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide

C28H27N3O3 — CID 24901442

About 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide (PubChem CID 24901442) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 24901442
• Molecular Formula: C28H27N3O3
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.21
• IUPAC Name: 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
• SMILES: CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@H](C)c3ccccc3)cc2)c1
• InChI: InChI=1S/C28H27N3O3/c1-19(22-7-4-3-5-8-22)17-29-28(33)27-26(34-18-30-27)15-21-11-13-23(14-12-21)24-9-6-10-25(16-24)31-20(2)32/h3-14,16,18-19H,15,17H2,1-2H3,(H,29,33)(H,31,32)/t19-/m0/s1
• InChIKey: UVPBFECAUWNWJG-IBGZPJMESA-N
• XLogP: 5.42
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide (CID 24901442) is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide is CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@H](C)c3ccccc3)cc2)c1.

What is the InChIKey of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide?

The InChIKey is UVPBFECAUWNWJG-IBGZPJMESA-N. The full InChI is InChI=1S/C28H27N3O3/c1-19(22-7-4-3-5-8-22)17-29-28(33)27-26(34-18-30-27)15-21-11-13-23(14-12-21)24-9-6-10-25(16-24)31-20(2)32/h3-14,16,18-19H,15,17H2,1-2H3,(H,29,33)(H,31,32)/t19-/m0/s1.

What are the key properties of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide?

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24901442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).