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

C14H27N5O — CID 79667234

IUPAC3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(C2CN(C)CCN2C)no1)C(C)NC
InChIInChI=1S/C14H27N5O/c1-6-11(10(2)15-3)14-16-13(17-20-14)12-9-18(4)7-8-19(12)5/h10-12,15H,6-9H2,1-5H3
InChIKeySWLTZBMUEJPIHV-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.09
Rot. Bonds5

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

3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 79667234) 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]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID79667234
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(C2CN(C)CCN2C)no1)C(C)NC
InChIInChI=1S/C14H27N5O/c1-6-11(10(2)15-3)14-16-13(17-20-14)12-9-18(4)7-8-19(12)5/h10-12,15H,6-9H2,1-5H3
InChIKeySWLTZBMUEJPIHV-UHFFFAOYSA-N
XLogP1.09
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.09
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]-N-methylpentan-2-amine?
The IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 79667234) is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCC(c1nc(C2CN(C)CCN2C)no1)C(C)NC.
What is the InChIKey of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is SWLTZBMUEJPIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-6-11(10(2)15-3)14-16-13(17-20-14)12-9-18(4)7-8-19(12)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 1.09, 5 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]-N-methylpentan-2-amine is sourced from PubChem (CID 79667234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).