3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole

C123H213N19O28 — CID 158189836

About 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole

3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole (PubChem CID 158189836) has the molecular formula C123H213N19O28 and a molecular weight of 2406.16 g/mol. Its IUPAC name is 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole
• PubChem CID: 158189836
• Molecular Formula: C123H213N19O28
• Molecular Weight: 2406.16 g/mol
• Exact Mass: 2404.58
• IUPAC Name: 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole
• SMILES: COCCCCCCOCc1cc(C)on1.COCCCCCOCCc1cc(C)on1.COCCCCOCCCc1cc(C)on1.COCCCOCCCCc1cc(C)on1.COCCCOCCOCc1cc(C)on1.COCCOCCCOCc1cc(C)on1.COCCOCCOCCc1cc(C)on1.Cc1cc(CCCN2CCN(C)CC2)no1.Cc1cc(CCN2CCN(C)CC2)no1.Cc1cc(CN2CCN(C)CC2)no1.Cc1cc(N2CCN(C)CC2)no1
• InChI: InChI=1S/C12H21N3O.4C12H21NO3.C11H19N3O.3C11H19NO4.C10H17N3O.C9H15N3O/c1-11-10-12(13-16-11)4-3-5-15-8-6-14(2)7-9-15;1-11-10-12(13-16-11)6-5-9-15-8-4-3-7-14-2;1-11-10-12(13-16-11)6-3-4-8-15-9-5-7-14-2;1-11-10-12(13-16-11)6-9-15-8-5-3-4-7-14-2;1-11-9-12(13-16-11)10-15-8-6-4-3-5-7-14-2;1-10-9-11(12-15-10)3-4-14-7-5-13(2)6-8-14;1-10-9-11(12-16-10)3-4-14-7-8-15-6-5-13-2;1-10-8-11(12-16-10)9-15-5-3-4-14-7-6-13-2;1-10-8-11(12-16-10)9-15-7-6-14-5-3-4-13-2;1-9-7-10(11-14-9)8-13-5-3-12(2)4-6-13;1-8-7-9(10-13-8)12-5-3-11(2)4-6-12/h4*10H,3-9H2,1-2H3;9H,3-8,10H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;2*8H,3-7,9H2,1-2H3;7H,3-6,8H2,1-2H3;7H,3-6H2,1-2H3
• InChIKey: FZPMBRKHGAIPKE-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 469.16 Ų
• H-Bond Acceptors: 47
• Rotatable Bonds: 73
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2406.16
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole?

The IUPAC name of 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole (CID 158189836) is 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole.

What is the SMILES notation for 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole?

The canonical SMILES for 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole is COCCCCCCOCc1cc(C)on1.COCCCCCOCCc1cc(C)on1.COCCCCOCCCc1cc(C)on1.COCCCOCCCCc1cc(C)on1.COCCCOCCOCc1cc(C)on1.COCCOCCCOCc1cc(C)on1.COCCOCCOCCc1cc(C)on1.Cc1cc(CCCN2CCN(C)CC2)no1.Cc1cc(CCN2CCN(C)CC2)no1.Cc1cc(CN2CCN(C)CC2)no1.Cc1cc(N2CCN(C)CC2)no1.

What is the InChIKey of 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole?

The InChIKey is FZPMBRKHGAIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.4C12H21NO3.C11H19N3O.3C11H19NO4.C10H17N3O.C9H15N3O/c1-11-10-12(13-16-11)4-3-5-15-8-6-14(2)7-9-15;1-11-10-12(13-16-11)6-5-9-15-8-4-3-7-14-2;1-11-10-12(13-16-11)6-3-4-8-15-9-5-7-14-2;1-11-10-12(13-16-11)6-9-15-8-5-3-4-7-14-2;1-11-9-12(13-16-11)10-15-8-6-4-3-5-7-14-2;1-10-9-11(12-15-10)3-4-14-7-5-13(2)6-8-14;1-10-9-11(12-16-10)3-4-14-7-8-15-6-5-13-2;1-10-8-11(12-16-10)9-15-5-3-4-14-7-6-13-2;1-10-8-11(12-16-10)9-15-7-6-14-5-3-4-13-2;1-9-7-10(11-14-9)8-13-5-3-12(2)4-6-13;1-8-7-9(10-13-8)12-5-3-11(2)4-6-12/h4*10H,3-9H2,1-2H3;9H,3-8,10H2,1-2H3;9H,3-8H2,1-2H3;9H,3-8H2,1-2H3;2*8H,3-7,9H2,1-2H3;7H,3-6,8H2,1-2H3;7H,3-6H2,1-2H3.

What are the key properties of 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole?

3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole has a molecular weight of 2406.16 g/mol, XLogP of 17.49, 73 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-methoxybutoxy)propyl]-5-methyl-1,2-oxazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propoxymethyl]-5-methyl-1,2-oxazole;3-(6-methoxyhexoxymethyl)-5-methyl-1,2-oxazole;3-[2-(5-methoxypentoxy)ethyl]-5-methyl-1,2-oxazole;3-[4-(3-methoxypropoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethoxymethyl]-5-methyl-1,2-oxazole;5-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole;5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole;5-methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1,2-oxazole is sourced from PubChem (CID 158189836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).