4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole

C15H27N3O — CID 79238128

IUPAC4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1(C)CN(C(C)c2c(C)noc2C)C(C)CN1
InChIInChI=1S/C15H27N3O/c1-7-15(6)9-18(10(2)8-16-15)12(4)14-11(3)17-19-13(14)5/h10,12,16H,7-9H2,1-6H3
InChIKeyDOQXWVKRIUQHER-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.81
Rot. Bonds3

About 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole

4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79238128) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79238128
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1(C)CN(C(C)c2c(C)noc2C)C(C)CN1
InChIInChI=1S/C15H27N3O/c1-7-15(6)9-18(10(2)8-16-15)12(4)14-11(3)17-19-13(14)5/h10,12,16H,7-9H2,1-6H3
InChIKeyDOQXWVKRIUQHER-UHFFFAOYSA-N
XLogP2.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole (CID 79238128) is 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole is CCC1(C)CN(C(C)c2c(C)noc2C)C(C)CN1.
What is the InChIKey of 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is DOQXWVKRIUQHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-7-15(6)9-18(10(2)8-16-15)12(4)14-11(3)17-19-13(14)5/h10,12,16H,7-9H2,1-6H3.
What are the key properties of 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 265.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethyl-2,5-dimethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79238128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).