3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole

C15H20N4O — CID 82737296

IUPAC3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(CCC2CCNC2)n1
InChIInChI=1S/C15H20N4O/c1-2-12-4-3-8-17-14(12)15-18-13(20-19-15)6-5-11-7-9-16-10-11/h3-4,8,11,16H,2,5-7,9-10H2,1H3
InChIKeyOZSQLCURQARGOK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.24
Rot. Bonds5

About 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole

3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 82737296) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
PubChem CID82737296
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCCc1cccnc1-c1noc(CCC2CCNC2)n1
InChIInChI=1S/C15H20N4O/c1-2-12-4-3-8-17-14(12)15-18-13(20-19-15)6-5-11-7-9-16-10-11/h3-4,8,11,16H,2,5-7,9-10H2,1H3
InChIKeyOZSQLCURQARGOK-UHFFFAOYSA-N
XLogP2.24
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole (CID 82737296) is 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole is CCc1cccnc1-c1noc(CCC2CCNC2)n1.
What is the InChIKey of 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is OZSQLCURQARGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-12-4-3-8-17-14(12)15-18-13(20-19-15)6-5-11-7-9-16-10-11/h3-4,8,11,16H,2,5-7,9-10H2,1H3.
What are the key properties of 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole?
3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82737296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).