2-(1-piperazin-1-ylethyl)-1,3-oxazole

C9H15N3O — CID 22361246

IUPAC2-(1-piperazin-1-ylethyl)-1,3-oxazole
SMILESCC(c1ncco1)N1CCNCC1
InChIInChI=1S/C9H15N3O/c1-8(9-11-4-7-13-9)12-5-2-10-3-6-12/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeySDXWRIGNRCYZCY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.64
Rot. Bonds2

About 2-(1-piperazin-1-ylethyl)-1,3-oxazole

2-(1-piperazin-1-ylethyl)-1,3-oxazole (PubChem CID 22361246) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-1,3-oxazole
PubChem CID22361246
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(1-piperazin-1-ylethyl)-1,3-oxazole
SMILESCC(c1ncco1)N1CCNCC1
InChIInChI=1S/C9H15N3O/c1-8(9-11-4-7-13-9)12-5-2-10-3-6-12/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeySDXWRIGNRCYZCY-UHFFFAOYSA-N
XLogP0.64
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-propan-2-yl-1,3-oxazole
CID 143094389
3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62716190
1-[1-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 83830839
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
2-[(1R)-1-iodoethyl]-1,3-oxazole
CID 149131745
1-(1,3-oxazol-2-yl)ethanethiol
CID 142401633
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
1-[(1R)-1-(2-bromo-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171289099
1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171276366

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-1,3-oxazole?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-1,3-oxazole (CID 22361246) is 2-(1-piperazin-1-ylethyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-1,3-oxazole?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-1,3-oxazole is CC(c1ncco1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-1,3-oxazole?
The InChIKey is SDXWRIGNRCYZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8(9-11-4-7-13-9)12-5-2-10-3-6-12/h4,7-8,10H,2-3,5-6H2,1H3.
What are the key properties of 2-(1-piperazin-1-ylethyl)-1,3-oxazole?
2-(1-piperazin-1-ylethyl)-1,3-oxazole has a molecular weight of 181.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-1,3-oxazole is sourced from PubChem (CID 22361246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).