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

C13H22N4O3 — CID 106743540

IUPAC3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCCN1CCOC(c2noc(C3(O)CCNC3)n2)C1
InChIInChI=1S/C13H22N4O3/c1-2-5-17-6-7-19-10(8-17)11-15-12(20-16-11)13(18)3-4-14-9-13/h10,14,18H,2-9H2,1H3
InChIKeyZANSOBNLACZTRF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.03
Rot. Bonds4

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

3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743540) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743540
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCCN1CCOC(c2noc(C3(O)CCNC3)n2)C1
InChIInChI=1S/C13H22N4O3/c1-2-5-17-6-7-19-10(8-17)11-15-12(20-16-11)13(18)3-4-14-9-13/h10,14,18H,2-9H2,1H3
InChIKeyZANSOBNLACZTRF-UHFFFAOYSA-N
XLogP0.03
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743540) is 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCCN1CCOC(c2noc(C3(O)CCNC3)n2)C1.
What is the InChIKey of 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is ZANSOBNLACZTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-2-5-17-6-7-19-10(8-17)11-15-12(20-16-11)13(18)3-4-14-9-13/h10,14,18H,2-9H2,1H3.
What are the key properties of 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 282.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).