3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole

C25H42N2O4 — CID 57238041

About 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole

3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole (PubChem CID 57238041) has the molecular formula C25H42N2O4 and a molecular weight of 434.62 g/mol. Its IUPAC name is 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole
• PubChem CID: 57238041
• Molecular Formula: C25H42N2O4
• Molecular Weight: 434.62 g/mol
• Exact Mass: 434.31
• IUPAC Name: 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole
• SMILES: CCCCCCCCCCCCCCCc1cc(OCC(C)Oc2cc(C)on2)no1
• InChI: InChI=1S/C25H42N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-24(26-31-23)28-20-22(3)29-25-18-21(2)30-27-25/h18-19,22H,4-17,20H2,1-3H3
• InChIKey: OVLARAACGUOZGQ-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 70.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.62
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
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 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole?

The IUPAC name of 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole (CID 57238041) is 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole.

What is the SMILES notation for 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole?

The canonical SMILES for 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole is CCCCCCCCCCCCCCCc1cc(OCC(C)Oc2cc(C)on2)no1.

What is the InChIKey of 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole?

The InChIKey is OVLARAACGUOZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-24(26-31-23)28-20-22(3)29-25-18-21(2)30-27-25/h18-19,22H,4-17,20H2,1-3H3.

What are the key properties of 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole?

3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole has a molecular weight of 434.62 g/mol, XLogP of 7.45, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]propoxy]-5-pentadecyl-1,2-oxazole is sourced from PubChem (CID 57238041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).