2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid

C34H44N4O6 — CID 101061868

About 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid

2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid (PubChem CID 101061868) has the molecular formula C34H44N4O6 and a molecular weight of 604.75 g/mol. Its IUPAC name is 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid
• PubChem CID: 101061868
• Molecular Formula: C34H44N4O6
• Molecular Weight: 604.75 g/mol
• Exact Mass: 604.33
• IUPAC Name: 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid
• SMILES: CCCCCCCCCC(=O)NC(CCC(=O)NCCCNC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)O
• InChI: InChI=1S/C34H44N4O6/c1-2-3-4-5-6-7-14-20-29(40)37-27(34(42)43)21-22-28(39)35-23-15-24-36-32(41)30-31(25-16-10-8-11-17-25)44-33(38-30)26-18-12-9-13-19-26/h8-13,16-19,27H,2-7,14-15,20-24H2,1H3,(H,35,39)(H,36,41)(H,37,40)(H,42,43)
• InChIKey: REMPGNYRDOMLSP-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 150.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.75
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid?

The IUPAC name of 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid (CID 101061868) is 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid.

What is the SMILES notation for 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid?

The canonical SMILES for 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid is CCCCCCCCCC(=O)NC(CCC(=O)NCCCNC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)O.

What is the InChIKey of 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid?

The InChIKey is REMPGNYRDOMLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O6/c1-2-3-4-5-6-7-14-20-29(40)37-27(34(42)43)21-22-28(39)35-23-15-24-36-32(41)30-31(25-16-10-8-11-17-25)44-33(38-30)26-18-12-9-13-19-26/h8-13,16-19,27H,2-7,14-15,20-24H2,1H3,(H,35,39)(H,36,41)(H,37,40)(H,42,43).

What are the key properties of 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid?

2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid has a molecular weight of 604.75 g/mol, XLogP of 5.74, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid is sourced from PubChem (CID 101061868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).