1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol

C13H24N4O2 — CID 79666898

IUPAC1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C13H24N4O2/c1-9(2)11(18)7-12-14-13(15-19-12)10-8-16(3)5-6-17(10)4/h9-11,18H,5-8H2,1-4H3
InChIKeyHIJODKRATUZAPD-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.55
Rot. Bonds4

About 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol

1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol (PubChem CID 79666898) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
PubChem CID79666898
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc(C2CN(C)CCN2C)no1
InChIInChI=1S/C13H24N4O2/c1-9(2)11(18)7-12-14-13(15-19-12)10-8-16(3)5-6-17(10)4/h9-11,18H,5-8H2,1-4H3
InChIKeyHIJODKRATUZAPD-UHFFFAOYSA-N
XLogP0.55
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106525786
1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79666053
(2S)-2-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916155
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 79667316
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79658870
5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847621
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79666639
4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79665065
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 79666471
3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79659293
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080267

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol (CID 79666898) is 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol is CC(C)C(O)Cc1nc(C2CN(C)CCN2C)no1.
What is the InChIKey of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
The InChIKey is HIJODKRATUZAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(2)11(18)7-12-14-13(15-19-12)10-8-16(3)5-6-17(10)4/h9-11,18H,5-8H2,1-4H3.
What are the key properties of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol?
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 79666898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).