3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole

C15H14F2N6O2 — CID 167930306

IUPAC3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1ncncc1-c1nc(-c2cnc(OCC(F)F)cn2)no1
InChIInChI=1S/C15H14F2N6O2/c1-8(2)13-9(3-18-7-21-13)15-22-14(23-25-15)10-4-20-12(5-19-10)24-6-11(16)17/h3-5,7-8,11H,6H2,1-2H3
InChIKeyRMWWCVQIXVAXBL-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.75
Rot. Bonds6

About 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole

3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 167930306) has the molecular formula C15H14F2N6O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID167930306
Molecular FormulaC15H14F2N6O2
Molecular Weight348.31 g/mol
Exact Mass348.11
IUPAC Name3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCC(C)c1ncncc1-c1nc(-c2cnc(OCC(F)F)cn2)no1
InChIInChI=1S/C15H14F2N6O2/c1-8(2)13-9(3-18-7-21-13)15-22-14(23-25-15)10-4-20-12(5-19-10)24-6-11(16)17/h3-5,7-8,11H,6H2,1-2H3
InChIKeyRMWWCVQIXVAXBL-UHFFFAOYSA-N
XLogP2.75
TPSA99.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole (CID 167930306) is 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole is CC(C)c1ncncc1-c1nc(-c2cnc(OCC(F)F)cn2)no1.
What is the InChIKey of 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is RMWWCVQIXVAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2/c1-8(2)13-9(3-18-7-21-13)15-22-14(23-25-15)10-4-20-12(5-19-10)24-6-11(16)17/h3-5,7-8,11H,6H2,1-2H3.
What are the key properties of 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 348.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-5-(4-propan-2-ylpyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167930306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).