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

C12H21N5O2 — CID 106743536

IUPAC3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCN1CCN(C)C(c2noc(C3(O)CCNC3)n2)C1
InChIInChI=1S/C12H21N5O2/c1-16-5-6-17(2)9(7-16)10-14-11(19-15-10)12(18)3-4-13-8-12/h9,13,18H,3-8H2,1-2H3
InChIKeyQPDDDBVEEOZBDK-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.83
Rot. Bonds2

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

3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743536) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743536
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCN1CCN(C)C(c2noc(C3(O)CCNC3)n2)C1
InChIInChI=1S/C12H21N5O2/c1-16-5-6-17(2)9(7-16)10-14-11(19-15-10)12(18)3-4-13-8-12/h9,13,18H,3-8H2,1-2H3
InChIKeyQPDDDBVEEOZBDK-UHFFFAOYSA-N
XLogP-0.83
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743536) is 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CN1CCN(C)C(c2noc(C3(O)CCNC3)n2)C1.
What is the InChIKey of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is QPDDDBVEEOZBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-16-5-6-17(2)9(7-16)10-14-11(19-15-10)12(18)3-4-13-8-12/h9,13,18H,3-8H2,1-2H3.
What are the key properties of 3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 267.33 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 7 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]pyrrolidin-3-ol is sourced from PubChem (CID 106743536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).