5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole

C16H15N5O — CID 53133358

IUPAC5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
SMILESc1cncc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)c1
InChIInChI=1S/C16H15N5O/c1-2-9-21(8-1)14-10-12(5-7-18-14)15-19-16(22-20-15)13-4-3-6-17-11-13/h3-7,10-11H,1-2,8-9H2
InChIKeyOLVAEHSFOXNMRS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.79
Rot. Bonds3

About 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole

5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53133358) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID53133358
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
SMILESc1cncc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)c1
InChIInChI=1S/C16H15N5O/c1-2-9-21(8-1)14-10-12(5-7-18-14)15-19-16(22-20-15)13-4-3-6-17-11-13/h3-7,10-11H,1-2,8-9H2
InChIKeyOLVAEHSFOXNMRS-UHFFFAOYSA-N
XLogP2.79
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole (CID 53133358) is 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole is c1cncc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)c1.
What is the InChIKey of 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is OLVAEHSFOXNMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-2-9-21(8-1)14-10-12(5-7-18-14)15-19-16(22-20-15)13-4-3-6-17-11-13/h3-7,10-11H,1-2,8-9H2.
What are the key properties of 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 293.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53133358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).