3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole

C11H19N3O — CID 63872193

IUPAC3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CC(C)NC(C)C2)no1
InChIInChI=1S/C11H19N3O/c1-8-5-14(6-9(2)12-8)7-11-4-10(3)15-13-11/h4,8-9,12H,5-7H2,1-3H3
InChIKeyRMRJAQJLQWEWCS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.17
Rot. Bonds2

About 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 63872193) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID63872193
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CC(C)NC(C)C2)no1
InChIInChI=1S/C11H19N3O/c1-8-5-14(6-9(2)12-8)7-11-4-10(3)15-13-11/h4,8-9,12H,5-7H2,1-3H3
InChIKeyRMRJAQJLQWEWCS-UHFFFAOYSA-N
XLogP1.17
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole (CID 63872193) is 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CC(C)NC(C)C2)no1.
What is the InChIKey of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is RMRJAQJLQWEWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-5-14(6-9(2)12-8)7-11-4-10(3)15-13-11/h4,8-9,12H,5-7H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 209.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 63872193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).