2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

C11H20N4O — CID 115077042

IUPAC2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCCN1CCC(c2nc(CCNC)no2)C1
InChIInChI=1S/C11H20N4O/c1-3-15-7-5-9(8-15)11-13-10(14-16-11)4-6-12-2/h9,12H,3-8H2,1-2H3
InChIKeyKCRQRPWGDFXWJR-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.64
Rot. Bonds5

About 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 115077042) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID115077042
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCCN1CCC(c2nc(CCNC)no2)C1
InChIInChI=1S/C11H20N4O/c1-3-15-7-5-9(8-15)11-13-10(14-16-11)4-6-12-2/h9,12H,3-8H2,1-2H3
InChIKeyKCRQRPWGDFXWJR-UHFFFAOYSA-N
XLogP0.64
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 115077042) is 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CCN1CCC(c2nc(CCNC)no2)C1.
What is the InChIKey of 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is KCRQRPWGDFXWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-7-5-9(8-15)11-13-10(14-16-11)4-6-12-2/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 115077042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).