2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide

C26H33N3O2 — CID 46001283

About 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide

2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 46001283) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
• PubChem CID: 46001283
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
• SMILES: CCC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1
• InChI: InChI=1S/C26H33N3O2/c1-5-20(4)27-26(30)24-18-31-25(28-24)17-29(15-21-9-7-6-8-10-21)16-22-11-13-23(14-12-22)19(2)3/h6-14,18-20H,5,15-17H2,1-4H3,(H,27,30)
• InChIKey: PUUMGOZZMVVLOZ-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide?

The IUPAC name of 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide (CID 46001283) is 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide?

The canonical SMILES for 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide is CCC(C)NC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(C(C)C)cc2)n1.

What is the InChIKey of 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide?

The InChIKey is PUUMGOZZMVVLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-5-20(4)27-26(30)24-18-31-25(28-24)17-29(15-21-9-7-6-8-10-21)16-22-11-13-23(14-12-22)19(2)3/h6-14,18-20H,5,15-17H2,1-4H3,(H,27,30).

What are the key properties of 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide?

2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46001283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).