3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole

C11H19N3O — CID 25248462

IUPAC3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(CN2CCNCC2)no1
InChIInChI=1S/C11H19N3O/c1-9(2)11-7-10(13-15-11)8-14-5-3-12-4-6-14/h7,9,12H,3-6,8H2,1-2H3
InChIKeyQGIRNUPQMZDLCB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.20
Rot. Bonds3

About 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole

3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole (PubChem CID 25248462) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole
PubChem CID25248462
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(CN2CCNCC2)no1
InChIInChI=1S/C11H19N3O/c1-9(2)11-7-10(13-15-11)8-14-5-3-12-4-6-14/h7,9,12H,3-6,8H2,1-2H3
InChIKeyQGIRNUPQMZDLCB-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((5-cyclopropylisoxazol-3-yl)methyl)adamantan-1-amine
CID 89615581
5-Methyl-3-(pyrrolidin-2-yl)-1,2-oxazole
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N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(3-isopropylisoxazol-5-yl)methyl]acetamide
CID 16189217
N-cyclohexyl-5-isopropylisoxazole-3-carboxamide
CID 3243071
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
N-(2-methylpropyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5309302
5-(Propan-2-YL)-N-propyl-1,2-oxazole-3-carboxamide
CID 6621383
2-(1-{[5-(Methylethyl)isoxazol-3-yl]methyl}-4-piperidyl)acetic acid
CID 25248472
(1E)-N-allyloxy-2-[(5-tert-butylisoxazol-3-yl)methylamino]-2-oxo-acetimidoyl cyanide
CID 9575805
N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 71609760
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 89615573

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole (CID 25248462) is 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole is CC(C)c1cc(CN2CCNCC2)no1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole?
The InChIKey is QGIRNUPQMZDLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)11-7-10(13-15-11)8-14-5-3-12-4-6-14/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole?
3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole has a molecular weight of 209.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 25248462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).