3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole

C11H19N3O — CID 84780855

IUPAC3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
SMILESCc1noc(CCN2CCNCC2)c1C
InChIInChI=1S/C11H19N3O/c1-9-10(2)13-15-11(9)3-6-14-7-4-12-5-8-14/h12H,3-8H2,1-2H3
InChIKeyUXCYYMBNVYRVCL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.74
Rot. Bonds3

About 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole

3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole (PubChem CID 84780855) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
PubChem CID84780855
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
SMILESCc1noc(CCN2CCNCC2)c1C
InChIInChI=1S/C11H19N3O/c1-9-10(2)13-15-11(9)3-6-14-7-4-12-5-8-14/h12H,3-8H2,1-2H3
InChIKeyUXCYYMBNVYRVCL-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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
2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
CID 84713876
2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
CID 84693175
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267409
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
CID 23005910
3-methyl-5-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 141146127
5-chloro-4,6-dimethyl-3-(2-piperazin-1-ylethyl)-1,2-benzoxazole
CID 39097785
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-methyl-7-(2-piperazin-1-ylethyl)isoquinoline
CID 117391822
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391073
4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole (CID 84780855) is 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole is Cc1noc(CCN2CCNCC2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole?
The InChIKey is UXCYYMBNVYRVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-10(2)13-15-11(9)3-6-14-7-4-12-5-8-14/h12H,3-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole?
3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole has a molecular weight of 209.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole is sourced from PubChem (CID 84780855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).