3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole

C15H15N5O3 — CID 72891945

IUPAC3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CCc3nc(C4CCOC4)no3)n2)ccn1
InChIInChI=1S/C15H15N5O3/c1(2-13-18-15(20-23-13)11-5-8-21-9-11)12-17-14(19-22-12)10-3-6-16-7-4-10/h3-4,6-7,11H,1-2,5,8-9H2
InChIKeyUIKXEHJDGXGMKW-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.80
Rot. Bonds5

About 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 72891945) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
PubChem CID72891945
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CCc3nc(C4CCOC4)no3)n2)ccn1
InChIInChI=1S/C15H15N5O3/c1(2-13-18-15(20-23-13)11-5-8-21-9-11)12-17-14(19-22-12)10-3-6-16-7-4-10/h3-4,6-7,11H,1-2,5,8-9H2
InChIKeyUIKXEHJDGXGMKW-UHFFFAOYSA-N
XLogP1.80
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole (CID 72891945) is 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole is c1cc(-c2noc(CCc3nc(C4CCOC4)no3)n2)ccn1.
What is the InChIKey of 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is UIKXEHJDGXGMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1(2-13-18-15(20-23-13)11-5-8-21-9-11)12-17-14(19-22-12)10-3-6-16-7-4-10/h3-4,6-7,11H,1-2,5,8-9H2.
What are the key properties of 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 313.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72891945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).