2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole

C12H8N4O2 — CID 2545881

IUPAC2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole
SMILESc1cnc(Oc2ccc(-c3nnco3)cc2)cn1
InChIInChI=1S/C12H8N4O2/c1-3-10(18-11-7-13-5-6-14-11)4-2-9(1)12-16-15-8-17-12/h1-8H
InChIKeyJTMGNYPFOJHYLB-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.32
Rot. Bonds3

About 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole

2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole (PubChem CID 2545881) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole
PubChem CID2545881
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole
SMILESc1cnc(Oc2ccc(-c3nnco3)cc2)cn1
InChIInChI=1S/C12H8N4O2/c1-3-10(18-11-7-13-5-6-14-11)4-2-9(1)12-16-15-8-17-12/h1-8H
InChIKeyJTMGNYPFOJHYLB-UHFFFAOYSA-N
XLogP2.32
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole (CID 2545881) is 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole is c1cnc(Oc2ccc(-c3nnco3)cc2)cn1.
What is the InChIKey of 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole?
The InChIKey is JTMGNYPFOJHYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c1-3-10(18-11-7-13-5-6-14-11)4-2-9(1)12-16-15-8-17-12/h1-8H.
What are the key properties of 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole?
2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole has a molecular weight of 240.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-yloxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2545881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).