3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole

C10H17N3O — CID 142367397

IUPAC3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
SMILESCN1CCN(CCc2ccon2)CC1
InChIInChI=1S/C10H17N3O/c1-12-5-7-13(8-6-12)4-2-10-3-9-14-11-10/h3,9H,2,4-8H2,1H3
InChIKeySCXHTWJGOOUTJE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.46
Rot. Bonds3

About 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole

3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole (PubChem CID 142367397) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
PubChem CID142367397
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole
SMILESCN1CCN(CCc2ccon2)CC1
InChIInChI=1S/C10H17N3O/c1-12-5-7-13(8-6-12)4-2-10-3-9-14-11-10/h3,9H,2,4-8H2,1H3
InChIKeySCXHTWJGOOUTJE-UHFFFAOYSA-N
XLogP0.46
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-[6-(4-methylpiperazin-1-yl)hexyl]-1,2-oxazole
CID 142386109
ethane;3-[4-(4-methylpiperazin-1-yl)butoxymethyl]-1,2-oxazole
CID 142390718
1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 142367873
ethane;3-[2-(4-methyl-2,3-dihydropyrazin-1-yl)ethyl]-1,2-oxazole
CID 142597143
3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
CID 153330321
N-cyclopropyl-1-methyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 126549493
3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142385764
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-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988746
ethane;3-[2-(4-phenylpiperazin-1-yl)ethoxymethyl]-1,2-oxazole
CID 142385806
3-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 54024148

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole (CID 142367397) is 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole is CN1CCN(CCc2ccon2)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole?
The InChIKey is SCXHTWJGOOUTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-5-7-13(8-6-12)4-2-10-3-9-14-11-10/h3,9H,2,4-8H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole?
3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole has a molecular weight of 195.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 142367397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).