3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole

C12H11N5O2 — CID 72868806

IUPAC3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole
SMILESc1cnc2cc(-c3nc(C4CCOC4)no3)nn2c1
InChIInChI=1S/C12H11N5O2/c1-3-13-10-6-9(15-17(10)4-1)12-14-11(16-19-12)8-2-5-18-7-8/h1,3-4,6,8H,2,5,7H2
InChIKeyKUDOYCVIYDWSMA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.28
Rot. Bonds2

About 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole

3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole (PubChem CID 72868806) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole
PubChem CID72868806
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole
SMILESc1cnc2cc(-c3nc(C4CCOC4)no3)nn2c1
InChIInChI=1S/C12H11N5O2/c1-3-13-10-6-9(15-17(10)4-1)12-14-11(16-19-12)8-2-5-18-7-8/h1,3-4,6,8H,2,5,7H2
InChIKeyKUDOYCVIYDWSMA-UHFFFAOYSA-N
XLogP1.28
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole (CID 72868806) is 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole is c1cnc2cc(-c3nc(C4CCOC4)no3)nn2c1.
What is the InChIKey of 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole?
The InChIKey is KUDOYCVIYDWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-3-13-10-6-9(15-17(10)4-1)12-14-11(16-19-12)8-2-5-18-7-8/h1,3-4,6,8H,2,5,7H2.
What are the key properties of 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole has a molecular weight of 257.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 72868806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).