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

C12H22N4O2 — CID 106743241

IUPAC3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCN(CC)CCc1noc(C2(O)CCNC2)n1
InChIInChI=1S/C12H22N4O2/c1-3-16(4-2)8-5-10-14-11(18-15-10)12(17)6-7-13-9-12/h13,17H,3-9H2,1-2H3
InChIKeyMAEOGVDNRJLIRE-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.13
Rot. Bonds6

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

3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743241) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743241
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCN(CC)CCc1noc(C2(O)CCNC2)n1
InChIInChI=1S/C12H22N4O2/c1-3-16(4-2)8-5-10-14-11(18-15-10)12(17)6-7-13-9-12/h13,17H,3-9H2,1-2H3
InChIKeyMAEOGVDNRJLIRE-UHFFFAOYSA-N
XLogP0.13
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743241) is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCN(CC)CCc1noc(C2(O)CCNC2)n1.
What is the InChIKey of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is MAEOGVDNRJLIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-16(4-2)8-5-10-14-11(18-15-10)12(17)6-7-13-9-12/h13,17H,3-9H2,1-2H3.
What are the key properties of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 254.33 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).