5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole

C10H17N3OS — CID 63145108

IUPAC5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CSC)no2)CCNC1
InChIInChI=1S/C10H17N3OS/c1-3-10(4-5-11-7-10)9-12-8(6-15-2)13-14-9/h11H,3-7H2,1-2H3
InChIKeyQSPXPMGONHQDQO-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.57
Rot. Bonds4

About 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole

5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 63145108) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID63145108
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CSC)no2)CCNC1
InChIInChI=1S/C10H17N3OS/c1-3-10(4-5-11-7-10)9-12-8(6-15-2)13-14-9/h11H,3-7H2,1-2H3
InChIKeyQSPXPMGONHQDQO-UHFFFAOYSA-N
XLogP1.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole (CID 63145108) is 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole is CCC1(c2nc(CSC)no2)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is QSPXPMGONHQDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-10(4-5-11-7-10)9-12-8(6-15-2)13-14-9/h11H,3-7H2,1-2H3.
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 227.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63145108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).