3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine

C14H27N5O — CID 79659449

IUPAC3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
SMILESCN1CCN(C)C(c2noc(C(C)(C)C(C)(C)N)n2)C1
InChIInChI=1S/C14H27N5O/c1-13(2,14(3,4)15)12-16-11(17-20-12)10-9-18(5)7-8-19(10)6/h10H,7-9,15H2,1-6H3
InChIKeyAXHZGIRNRGMSDE-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.00
Rot. Bonds3

About 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine

3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine (PubChem CID 79659449) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
PubChem CID79659449
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
SMILESCN1CCN(C)C(c2noc(C(C)(C)C(C)(C)N)n2)C1
InChIInChI=1S/C14H27N5O/c1-13(2,14(3,4)15)12-16-11(17-20-12)10-9-18(5)7-8-19(10)6/h10H,7-9,15H2,1-6H3
InChIKeyAXHZGIRNRGMSDE-UHFFFAOYSA-N
XLogP1.00
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine?
The IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine (CID 79659449) is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine?
The canonical SMILES for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine is CN1CCN(C)C(c2noc(C(C)(C)C(C)(C)N)n2)C1.
What is the InChIKey of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine?
The InChIKey is AXHZGIRNRGMSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-13(2,14(3,4)15)12-16-11(17-20-12)10-9-18(5)7-8-19(10)6/h10H,7-9,15H2,1-6H3.
What are the key properties of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine?
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 79659449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).