ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole

C16H33N3O2 — CID 142385867

IUPACethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
SMILESCC.CC.c1cc(CCOCCCN2CCNCC2)no1
InChIInChI=1S/C12H21N3O2.2C2H6/c1(6-15-7-4-13-5-8-15)9-16-10-2-12-3-11-17-14-12;2*1-2/h3,11,13H,1-2,4-10H2;2*1-2H3
InChIKeySQOANAARJJSGBN-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.58
Rot. Bonds7

About ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole

ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole (PubChem CID 142385867) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole.

Molecular Properties

Compound Nameethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
PubChem CID142385867
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nameethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
SMILESCC.CC.c1cc(CCOCCCN2CCNCC2)no1
InChIInChI=1S/C12H21N3O2.2C2H6/c1(6-15-7-4-13-5-8-15)9-16-10-2-12-3-11-17-14-12;2*1-2/h3,11,13H,1-2,4-10H2;2*1-2H3
InChIKeySQOANAARJJSGBN-UHFFFAOYSA-N
XLogP2.58
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385868
3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
CID 153330321
3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142385764
ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
CID 142390718
ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
CID 142386109
ethane;3-[2-(3-phenoxypropoxy)ethyl]-1,2-oxazole
CID 153330525
ethane;3-[3-(3-methoxypropoxy)propyl]-1,2-oxazole
CID 142390510
ethane;3-[3-(2-methoxyethoxy)propyl]-1,2-oxazole
CID 142597175
3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
CID 142367397
ethane;3-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]-1,2-oxazole
CID 142409422
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 81176676
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole?
The IUPAC name of ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole (CID 142385867) is ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole.
What is the SMILES notation for ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole?
The canonical SMILES for ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole is CC.CC.c1cc(CCOCCCN2CCNCC2)no1.
What is the InChIKey of ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole?
The InChIKey is SQOANAARJJSGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.2C2H6/c1(6-15-7-4-13-5-8-15)9-16-10-2-12-3-11-17-14-12;2*1-2/h3,11,13H,1-2,4-10H2;2*1-2H3.
What are the key properties of ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole?
ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole has a molecular weight of 299.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole is sourced from PubChem (CID 142385867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).