3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

C11H19N3O — CID 81174141

IUPAC3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CNCCN1Cc1ccon1
InChIInChI=1S/C11H19N3O/c1-9(2)11-7-12-4-5-14(11)8-10-3-6-15-13-10/h3,6,9,11-12H,4-5,7-8H2,1-2H3
InChIKeyONEKVSQOLVHOCW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.10
Rot. Bonds3

About 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole

3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 81174141) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID81174141
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESCC(C)C1CNCCN1Cc1ccon1
InChIInChI=1S/C11H19N3O/c1-9(2)11-7-12-4-5-14(11)8-10-3-6-15-13-10/h3,6,9,11-12H,4-5,7-8H2,1-2H3
InChIKeyONEKVSQOLVHOCW-UHFFFAOYSA-N
XLogP1.10
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,2-oxazole
CID 81174386
3-[(5-phenyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81178594
1-[(4-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64832159
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
1-[1-(1,2-oxazol-3-ylmethyl)piperidin-2-yl]ethanamine
CID 119911607
3-[(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2-oxazole
CID 81173573
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
2-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine
CID 64833156
1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64833925
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173577
2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64845053

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole (CID 81174141) is 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is CC(C)C1CNCCN1Cc1ccon1.
What is the InChIKey of 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is ONEKVSQOLVHOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)11-7-12-4-5-14(11)8-10-3-6-15-13-10/h3,6,9,11-12H,4-5,7-8H2,1-2H3.
What are the key properties of 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole?
3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 209.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 81174141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).