3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole

C11H19N3O — CID 141146127

IUPAC3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole
SMILESCc1cc(CCCN2CCNCC2)on1
InChIInChI=1S/C11H19N3O/c1-10-9-11(15-13-10)3-2-6-14-7-4-12-5-8-14/h9,12H,2-8H2,1H3
InChIKeyQGEMTXPBQMKBRV-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.82
Rot. Bonds4

About 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole

3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole (PubChem CID 141146127) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole
PubChem CID141146127
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole
SMILESCc1cc(CCCN2CCNCC2)on1
InChIInChI=1S/C11H19N3O/c1-10-9-11(15-13-10)3-2-6-14-7-4-12-5-8-14/h9,12H,2-8H2,1H3
InChIKeyQGEMTXPBQMKBRV-UHFFFAOYSA-N
XLogP0.82
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
3-methyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119394236
1-[4-(5-methylfuran-2-yl)butyl]piperazine
CID 116928635
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710
N-methyl-3-(3-methyl-1,2-oxazol-5-yl)propan-1-amine
CID 177319850
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
CID 19894069
3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
CID 84780855
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole (CID 141146127) is 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole is Cc1cc(CCCN2CCNCC2)on1.
What is the InChIKey of 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole?
The InChIKey is QGEMTXPBQMKBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10-9-11(15-13-10)3-2-6-14-7-4-12-5-8-14/h9,12H,2-8H2,1H3.
What are the key properties of 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole?
3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole has a molecular weight of 209.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole is sourced from PubChem (CID 141146127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).