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

C11H18N4O3 — CID 106743525

IUPAC3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCN1CCOC(c2noc(C3(O)CCNC3)n2)C1
InChIInChI=1S/C11H18N4O3/c1-15-4-5-17-8(6-15)9-13-10(18-14-9)11(16)2-3-12-7-11/h8,12,16H,2-7H2,1H3
InChIKeySVQZCLCKAIBJDS-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.75
Rot. Bonds2

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

3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743525) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743525
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCN1CCOC(c2noc(C3(O)CCNC3)n2)C1
InChIInChI=1S/C11H18N4O3/c1-15-4-5-17-8(6-15)9-13-10(18-14-9)11(16)2-3-12-7-11/h8,12,16H,2-7H2,1H3
InChIKeySVQZCLCKAIBJDS-UHFFFAOYSA-N
XLogP-0.75
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743525) is 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CN1CCOC(c2noc(C3(O)CCNC3)n2)C1.
What is the InChIKey of 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is SVQZCLCKAIBJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-15-4-5-17-8(6-15)9-13-10(18-14-9)11(16)2-3-12-7-11/h8,12,16H,2-7H2,1H3.
What are the key properties of 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 254.29 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).