1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole

C107H194N24O12 — CID 157334295

IUPAC1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole
SMILESCCN1CC(N2CCN(C)CC2)C1.Cc1cc(CCCCCCN2CCN(C)CC2)no1.Cc1cc(CCCCCN2CCN(C)CC2)no1.Cc1cc(CCCOCCN2CCN(C)CC2)no1.Cc1cc(CCOCCCN2CCN(C)CC2)no1.Cc1cc(CCOCCN2CCN(C)CC2)no1.Cc1cc(COCCCCN2CCN(C)CC2)no1.Cc1cc(COCCCN2CCN(C)CC2)no1
InChIInChI=1S/C15H27N3O.3C14H25N3O2.C14H25N3O.2C13H23N3O2.C10H21N3/c1-14-13-15(16-19-14)7-5-3-4-6-8-18-11-9-17(2)10-12-18;1-13-12-14(15-19-13)4-11-18-10-3-5-17-8-6-16(2)7-9-17;1-13-12-14(15-19-13)4-3-10-18-11-9-17-7-5-16(2)6-8-17;1-13-11-14(15-19-13)12-18-10-4-3-5-17-8-6-16(2)7-9-17;1-13-12-14(15-18-13)6-4-3-5-7-17-10-8-16(2)9-11-17;1-12-11-13(14-18-12)3-9-17-10-8-16-6-4-15(2)5-7-16;1-12-10-13(14-18-12)11-17-9-3-4-16-7-5-15(2)6-8-16;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13/h13H,3-12H2,1-2H3;2*12H,3-11H2,1-2H3;11H,3-10,12H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;10H,3-9,11H2,1-2H3;10H,3-9H2,1-2H3
InChIKeyBFQPJURFDWCUCJ-UHFFFAOYSA-N
MW2008.88 g/mol
LogP10.03
Rot. Bonds48

About 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole

1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole (PubChem CID 157334295) has the molecular formula C107H194N24O12 and a molecular weight of 2008.88 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole
PubChem CID157334295
Molecular FormulaC107H194N24O12
Molecular Weight2008.88 g/mol
Exact Mass2007.53
IUPAC Name1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole
SMILESCCN1CC(N2CCN(C)CC2)C1.Cc1cc(CCCCCCN2CCN(C)CC2)no1.Cc1cc(CCCCCN2CCN(C)CC2)no1.Cc1cc(CCCOCCN2CCN(C)CC2)no1.Cc1cc(CCOCCCN2CCN(C)CC2)no1.Cc1cc(CCOCCN2CCN(C)CC2)no1.Cc1cc(COCCCCN2CCN(C)CC2)no1.Cc1cc(COCCCN2CCN(C)CC2)no1
InChIInChI=1S/C15H27N3O.3C14H25N3O2.C14H25N3O.2C13H23N3O2.C10H21N3/c1-14-13-15(16-19-14)7-5-3-4-6-8-18-11-9-17(2)10-12-18;1-13-12-14(15-19-13)4-11-18-10-3-5-17-8-6-16(2)7-9-17;1-13-12-14(15-19-13)4-3-10-18-11-9-17-7-5-16(2)6-8-17;1-13-11-14(15-19-13)12-18-10-4-3-5-17-8-6-16(2)7-9-17;1-13-12-14(15-18-13)6-4-3-5-7-17-10-8-16(2)9-11-17;1-12-11-13(14-18-12)3-9-17-10-8-16-6-4-15(2)5-7-16;1-12-10-13(14-18-12)11-17-9-3-4-16-7-5-15(2)6-8-16;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13/h13H,3-12H2,1-2H3;2*12H,3-11H2,1-2H3;11H,3-10,12H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;10H,3-9,11H2,1-2H3;10H,3-9H2,1-2H3
InChIKeyBFQPJURFDWCUCJ-UHFFFAOYSA-N
XLogP10.03
TPSA283.44 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002008.88
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole (CID 157334295) is 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole is CCN1CC(N2CCN(C)CC2)C1.Cc1cc(CCCCCCN2CCN(C)CC2)no1.Cc1cc(CCCCCN2CCN(C)CC2)no1.Cc1cc(CCCOCCN2CCN(C)CC2)no1.Cc1cc(CCOCCCN2CCN(C)CC2)no1.Cc1cc(CCOCCN2CCN(C)CC2)no1.Cc1cc(COCCCCN2CCN(C)CC2)no1.Cc1cc(COCCCN2CCN(C)CC2)no1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole?
The InChIKey is BFQPJURFDWCUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.3C14H25N3O2.C14H25N3O.2C13H23N3O2.C10H21N3/c1-14-13-15(16-19-14)7-5-3-4-6-8-18-11-9-17(2)10-12-18;1-13-12-14(15-19-13)4-11-18-10-3-5-17-8-6-16(2)7-9-17;1-13-12-14(15-19-13)4-3-10-18-11-9-17-7-5-16(2)6-8-17;1-13-11-14(15-19-13)12-18-10-4-3-5-17-8-6-16(2)7-9-17;1-13-12-14(15-18-13)6-4-3-5-7-17-10-8-16(2)9-11-17;1-12-11-13(14-18-12)3-9-17-10-8-16-6-4-15(2)5-7-16;1-12-10-13(14-18-12)11-17-9-3-4-16-7-5-15(2)6-8-16;1-3-12-8-10(9-12)13-6-4-11(2)5-7-13/h13H,3-12H2,1-2H3;2*12H,3-11H2,1-2H3;11H,3-10,12H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;10H,3-9,11H2,1-2H3;10H,3-9H2,1-2H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole?
1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole has a molecular weight of 2008.88 g/mol, XLogP of 10.03, 48 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-4-methylpiperazine;5-methyl-3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole;5-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propyl]-1,2-oxazole;5-methyl-3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole;5-methyl-3-[5-(4-methylpiperazin-1-yl)pentyl]-1,2-oxazole;5-methyl-3-[2-[3-(4-methylpiperazin-1-yl)propoxy]ethyl]-1,2-oxazole;5-methyl-3-[3-(4-methylpiperazin-1-yl)propoxymethyl]-1,2-oxazole is sourced from PubChem (CID 157334295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).