3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane

C15H29N3O — CID 153330321

IUPAC3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
SMILESCCC.c1cc(CCCCCN2CCNCC2)no1
InChIInChI=1S/C12H21N3O.C3H8/c1(2-4-12-5-11-16-14-12)3-8-15-9-6-13-7-10-15;1-3-2/h5,11,13H,1-4,6-10H2;3H2,1-2H3
InChIKeyHHCWETRIBSJDEF-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.71
Rot. Bonds6

About 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane

3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane (PubChem CID 153330321) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane.

Molecular Properties

Compound Name3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
PubChem CID153330321
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
SMILESCCC.c1cc(CCCCCN2CCNCC2)no1
InChIInChI=1S/C12H21N3O.C3H8/c1(2-4-12-5-11-16-14-12)3-8-15-9-6-13-7-10-15;1-3-2/h5,11,13H,1-4,6-10H2;3H2,1-2H3
InChIKeyHHCWETRIBSJDEF-UHFFFAOYSA-N
XLogP2.71
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
CID 142386109
ethane;3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385867
3-[2-(3-piperazin-1-ylpropoxy)ethyl]-1,2-oxazole
CID 142385868
3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
CID 142367397
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 81176676
1-tricosylpiperazine
CID 130183651
5-(4-piperazin-1-ylbutyl)pyrimidine
CID 121009202
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
1-[4-(5-methylfuran-2-yl)butyl]piperazine
CID 116928635
ethane;1-octylpiperazine
CID 144711845
ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
CID 142390718
1-(5-pyridin-4-ylpentyl)-1,4-diazepane
CID 18958792

Frequently Asked Questions

What is the IUPAC name of 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane?
The IUPAC name of 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane (CID 153330321) is 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane.
What is the SMILES notation for 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane?
The canonical SMILES for 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane is CCC.c1cc(CCCCCN2CCNCC2)no1.
What is the InChIKey of 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane?
The InChIKey is HHCWETRIBSJDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.C3H8/c1(2-4-12-5-11-16-14-12)3-8-15-9-6-13-7-10-15;1-3-2/h5,11,13H,1-4,6-10H2;3H2,1-2H3.
What are the key properties of 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane?
3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane has a molecular weight of 267.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane is sourced from PubChem (CID 153330321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).