3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide

C178H308N24O45 — CID 161494887

IUPAC3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
SMILESC=C(CN1CCC(CN2CCN(C)CC2)CC1)NC.CNC(=O)CN1CCC(N2CCN(C)CC2)CC1.COCCCCCOCc1cc(C)on1.COCCCCCc1cc(C)on1.COCCCCOCCc1cc(C)on1.COCCCCOCc1cc(C)on1.COCCCCc1cc(C)on1.COCCCOCCCc1cc(C)on1.COCCCOCCc1cc(C)on1.COCCCOCc1cc(C)on1.COCCCc1cc(C)on1.COCCOCCCCc1cc(C)on1.COCCOCCCc1cc(C)on1.COCCOCCOCc1cc(C)on1.COCCOCCc1cc(C)on1.COCCOCc1cc(C)on1.COCCc1cc(C)on1.COCc1cc(C)on1
InChIInChI=1S/C15H30N4.C13H26N4O.4C11H19NO3.C10H17NO4.3C10H17NO3.C10H17NO2.2C9H15NO3.C9H15NO2.C8H13NO3.C8H13NO2.C7H11NO2.C6H9NO2/c1-14(16-2)12-18-6-4-15(5-7-18)13-19-10-8-17(3)9-11-19;1-14-13(18)11-16-5-3-12(4-6-16)17-9-7-15(2)8-10-17;1-10-9-11(12-15-10)5-3-7-14-8-4-6-13-2;1-10-9-11(12-15-10)5-8-14-7-4-3-6-13-2;1-10-9-11(12-15-10)5-3-4-6-14-8-7-13-2;1-10-8-11(12-15-10)9-14-7-5-3-4-6-13-2;1-9-7-10(11-15-9)8-14-6-5-13-4-3-12-2;1-9-8-10(11-14-9)4-7-13-6-3-5-12-2;1-9-8-10(11-14-9)4-3-5-13-7-6-12-2;1-9-7-10(11-14-9)8-13-6-4-3-5-12-2;1-9-8-10(11-13-9)6-4-3-5-7-12-2;1-8-7-9(10-13-8)3-4-12-6-5-11-2;1-8-6-9(10-13-8)7-12-5-3-4-11-2;1-8-7-9(10-12-8)5-3-4-6-11-2;1-7-5-8(9-12-7)6-11-4-3-10-2;1-7-6-8(9-11-7)4-3-5-10-2;1-6-5-7(8-10-6)3-4-9-2;1-5-3-6(4-8-2)7-9-5/h15-16H,1,4-13H2,2-3H3;12H,3-11H2,1-2H3,(H,14,18);3*9H,3-8H2,1-2H3;8H,3-7,9H2,1-2H3;7H,3-6,8H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6,8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5,7H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4,6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;3H,4H2,1-2H3
InChIKeyWGBKMYNBQOQMQH-UHFFFAOYSA-N
MW3504.54 g/mol
LogP26.62
Rot. Bonds106

About 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide

3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 161494887) has the molecular formula C178H308N24O45 and a molecular weight of 3504.54 g/mol. Its IUPAC name is 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
PubChem CID161494887
Molecular FormulaC178H308N24O45
Molecular Weight3504.54 g/mol
Exact Mass3502.26
IUPAC Name3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
SMILESC=C(CN1CCC(CN2CCN(C)CC2)CC1)NC.CNC(=O)CN1CCC(N2CCN(C)CC2)CC1.COCCCCCOCc1cc(C)on1.COCCCCCc1cc(C)on1.COCCCCOCCc1cc(C)on1.COCCCCOCc1cc(C)on1.COCCCCc1cc(C)on1.COCCCOCCCc1cc(C)on1.COCCCOCCc1cc(C)on1.COCCCOCc1cc(C)on1.COCCCc1cc(C)on1.COCCOCCCCc1cc(C)on1.COCCOCCCc1cc(C)on1.COCCOCCOCc1cc(C)on1.COCCOCCc1cc(C)on1.COCCOCc1cc(C)on1.COCCc1cc(C)on1.COCc1cc(C)on1
InChIInChI=1S/C15H30N4.C13H26N4O.4C11H19NO3.C10H17NO4.3C10H17NO3.C10H17NO2.2C9H15NO3.C9H15NO2.C8H13NO3.C8H13NO2.C7H11NO2.C6H9NO2/c1-14(16-2)12-18-6-4-15(5-7-18)13-19-10-8-17(3)9-11-19;1-14-13(18)11-16-5-3-12(4-6-16)17-9-7-15(2)8-10-17;1-10-9-11(12-15-10)5-3-7-14-8-4-6-13-2;1-10-9-11(12-15-10)5-8-14-7-4-3-6-13-2;1-10-9-11(12-15-10)5-3-4-6-14-8-7-13-2;1-10-8-11(12-15-10)9-14-7-5-3-4-6-13-2;1-9-7-10(11-15-9)8-14-6-5-13-4-3-12-2;1-9-8-10(11-14-9)4-7-13-6-3-5-12-2;1-9-8-10(11-14-9)4-3-5-13-7-6-12-2;1-9-7-10(11-14-9)8-13-6-4-3-5-12-2;1-9-8-10(11-13-9)6-4-3-5-7-12-2;1-8-7-9(10-13-8)3-4-12-6-5-11-2;1-8-6-9(10-13-8)7-12-5-3-4-11-2;1-8-7-9(10-12-8)5-3-4-6-11-2;1-7-5-8(9-12-7)6-11-4-3-10-2;1-7-6-8(9-11-7)4-3-5-10-2;1-6-5-7(8-10-6)3-4-9-2;1-5-3-6(4-8-2)7-9-5/h15-16H,1,4-13H2,2-3H3;12H,3-11H2,1-2H3,(H,14,18);3*9H,3-8H2,1-2H3;8H,3-7,9H2,1-2H3;7H,3-6,8H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6,8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5,7H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4,6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;3H,4H2,1-2H3
InChIKeyWGBKMYNBQOQMQH-UHFFFAOYSA-N
XLogP26.62
TPSA735.49 Ų
H-Bond Donors2
H-Bond Acceptors68
Rotatable Bonds106
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003504.54
LogP ≤ 526.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

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

Analyze 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide (CID 161494887) is 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide is C=C(CN1CCC(CN2CCN(C)CC2)CC1)NC.CNC(=O)CN1CCC(N2CCN(C)CC2)CC1.COCCCCCOCc1cc(C)on1.COCCCCCc1cc(C)on1.COCCCCOCCc1cc(C)on1.COCCCCOCc1cc(C)on1.COCCCCc1cc(C)on1.COCCCOCCCc1cc(C)on1.COCCCOCCc1cc(C)on1.COCCCOCc1cc(C)on1.COCCCc1cc(C)on1.COCCOCCCCc1cc(C)on1.COCCOCCCc1cc(C)on1.COCCOCCOCc1cc(C)on1.COCCOCCc1cc(C)on1.COCCOCc1cc(C)on1.COCCc1cc(C)on1.COCc1cc(C)on1.
What is the InChIKey of 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is WGBKMYNBQOQMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.C13H26N4O.4C11H19NO3.C10H17NO4.3C10H17NO3.C10H17NO2.2C9H15NO3.C9H15NO2.C8H13NO3.C8H13NO2.C7H11NO2.C6H9NO2/c1-14(16-2)12-18-6-4-15(5-7-18)13-19-10-8-17(3)9-11-19;1-14-13(18)11-16-5-3-12(4-6-16)17-9-7-15(2)8-10-17;1-10-9-11(12-15-10)5-3-7-14-8-4-6-13-2;1-10-9-11(12-15-10)5-8-14-7-4-3-6-13-2;1-10-9-11(12-15-10)5-3-4-6-14-8-7-13-2;1-10-8-11(12-15-10)9-14-7-5-3-4-6-13-2;1-9-7-10(11-15-9)8-14-6-5-13-4-3-12-2;1-9-8-10(11-14-9)4-7-13-6-3-5-12-2;1-9-8-10(11-14-9)4-3-5-13-7-6-12-2;1-9-7-10(11-14-9)8-13-6-4-3-5-12-2;1-9-8-10(11-13-9)6-4-3-5-7-12-2;1-8-7-9(10-13-8)3-4-12-6-5-11-2;1-8-6-9(10-13-8)7-12-5-3-4-11-2;1-8-7-9(10-12-8)5-3-4-6-11-2;1-7-5-8(9-12-7)6-11-4-3-10-2;1-7-6-8(9-11-7)4-3-5-10-2;1-6-5-7(8-10-6)3-4-9-2;1-5-3-6(4-8-2)7-9-5/h15-16H,1,4-13H2,2-3H3;12H,3-11H2,1-2H3,(H,14,18);3*9H,3-8H2,1-2H3;8H,3-7,9H2,1-2H3;7H,3-6,8H2,1-2H3;2*8H,3-7H2,1-2H3;7H,3-6,8H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5,7H2,1-2H3;7H,3-6H2,1-2H3;5H,3-4,6H2,1-2H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3;3H,4H2,1-2H3.
What are the key properties of 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide?
3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 3504.54 g/mol, XLogP of 26.62, 106 rotatable bonds, 2 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxybutoxy)ethyl]-5-methyl-1,2-oxazole;3-(4-methoxybutoxymethyl)-5-methyl-1,2-oxazole;3-(4-methoxybutyl)-5-methyl-1,2-oxazole;3-[4-(2-methoxyethoxy)butyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethoxymethyl]-5-methyl-1,2-oxazole;3-[2-(2-methoxyethoxy)ethyl]-5-methyl-1,2-oxazole;3-(2-methoxyethoxymethyl)-5-methyl-1,2-oxazole;3-[3-(2-methoxyethoxy)propyl]-5-methyl-1,2-oxazole;3-(2-methoxyethyl)-5-methyl-1,2-oxazole;3-(methoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole;3-(5-methoxypentyl)-5-methyl-1,2-oxazole;3-[2-(3-methoxypropoxy)ethyl]-5-methyl-1,2-oxazole;3-(3-methoxypropoxymethyl)-5-methyl-1,2-oxazole;3-[3-(3-methoxypropoxy)propyl]-5-methyl-1,2-oxazole;3-(3-methoxypropyl)-5-methyl-1,2-oxazole;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 161494887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).