N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

C28H38N2O3 — CID 14407632

About N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide

N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (PubChem CID 14407632) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.

Molecular Properties

• Compound Name: N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
• PubChem CID: 14407632
• Molecular Formula: C28H38N2O3
• Molecular Weight: 450.62 g/mol
• Exact Mass: 450.29
• IUPAC Name: N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
• SMILES: Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cc(CC3=NC(C)(C)CO3)ccc2C)c1
• InChI: InChI=1S/C28H38N2O3/c1-19-9-10-21(3)24(15-19)32-14-8-13-27(4,5)26(31)29-23-16-22(12-11-20(23)2)17-25-30-28(6,7)18-33-25/h9-12,15-16H,8,13-14,17-18H2,1-7H3,(H,29,31)
• InChIKey: FFOAUCIPDBOGAQ-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 59.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.62
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?

The IUPAC name of N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide (CID 14407632) is N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide.

What is the SMILES notation for N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?

The canonical SMILES for N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cc(CC3=NC(C)(C)CO3)ccc2C)c1.

What is the InChIKey of N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?

The InChIKey is FFOAUCIPDBOGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-19-9-10-21(3)24(15-19)32-14-8-13-27(4,5)26(31)29-23-16-22(12-11-20(23)2)17-25-30-28(6,7)18-33-25/h9-12,15-16H,8,13-14,17-18H2,1-7H3,(H,29,31).

What are the key properties of N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide?

N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide has a molecular weight of 450.62 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-2-methylphenyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide is sourced from PubChem (CID 14407632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).