5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole

C12H20N4OS — CID 103594787

IUPAC5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
SMILESCN1CCSCC1c1noc(C2(C)CCNC2)n1
InChIInChI=1S/C12H20N4OS/c1-12(3-4-13-8-12)11-14-10(15-17-11)9-7-18-6-5-16(9)2/h9,13H,3-8H2,1-2H3
InChIKeyDVJRVUMFUHPBAJ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.04
Rot. Bonds2

About 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole

5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole (PubChem CID 103594787) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
PubChem CID103594787
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
SMILESCN1CCSCC1c1noc(C2(C)CCNC2)n1
InChIInChI=1S/C12H20N4OS/c1-12(3-4-13-8-12)11-14-10(15-17-11)9-7-18-6-5-16(9)2/h9,13H,3-8H2,1-2H3
InChIKeyDVJRVUMFUHPBAJ-UHFFFAOYSA-N
XLogP1.04
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole (CID 103594787) is 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole is CN1CCSCC1c1noc(C2(C)CCNC2)n1.
What is the InChIKey of 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole?
The InChIKey is DVJRVUMFUHPBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-12(3-4-13-8-12)11-14-10(15-17-11)9-7-18-6-5-16(9)2/h9,13H,3-8H2,1-2H3.
What are the key properties of 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole?
5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole has a molecular weight of 268.39 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrrolidin-3-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 103594787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).