2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine

C13H23N5O2 — CID 115414416

IUPAC2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESCN1CCN(C)C(Cc2noc(C3CNCCO3)n2)C1
InChIInChI=1S/C13H23N5O2/c1-17-4-5-18(2)10(9-17)7-12-15-13(20-16-12)11-8-14-3-6-19-11/h10-11,14H,3-9H2,1-2H3
InChIKeySKAOSGMVGXHQEK-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.48
Rot. Bonds3

About 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine

2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 115414416) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID115414416
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESCN1CCN(C)C(Cc2noc(C3CNCCO3)n2)C1
InChIInChI=1S/C13H23N5O2/c1-17-4-5-18(2)10(9-17)7-12-15-13(20-16-12)11-8-14-3-6-19-11/h10-11,14H,3-9H2,1-2H3
InChIKeySKAOSGMVGXHQEK-UHFFFAOYSA-N
XLogP-0.48
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,5S)-5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912482
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950378
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazole-5-carbaldehyde
CID 115415907
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414316
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115414370
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414351
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 116807932
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 115415927
1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115415952
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115415936

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine (CID 115414416) is 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine is CN1CCN(C)C(Cc2noc(C3CNCCO3)n2)C1.
What is the InChIKey of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is SKAOSGMVGXHQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-17-4-5-18(2)10(9-17)7-12-15-13(20-16-12)11-8-14-3-6-19-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine?
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 281.36 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 115414416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).