3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole

C14H8N6O2 — CID 100642564

IUPAC3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESc1cncc(-c2cc(-c3nc(-c4cnccn4)no3)no2)c1
InChIInChI=1S/C14H8N6O2/c1-2-9(7-15-3-1)12-6-10(19-21-12)14-18-13(20-22-14)11-8-16-4-5-17-11/h1-8H
InChIKeyGWOIRSHVPYNOFF-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.24
Rot. Bonds3

About 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole

3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole (PubChem CID 100642564) has the molecular formula C14H8N6O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
PubChem CID100642564
Molecular FormulaC14H8N6O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESc1cncc(-c2cc(-c3nc(-c4cnccn4)no3)no2)c1
InChIInChI=1S/C14H8N6O2/c1-2-9(7-15-3-1)12-6-10(19-21-12)14-18-13(20-22-14)11-8-16-4-5-17-11/h1-8H
InChIKeyGWOIRSHVPYNOFF-UHFFFAOYSA-N
XLogP2.24
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole (CID 100642564) is 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole is c1cncc(-c2cc(-c3nc(-c4cnccn4)no3)no2)c1.
What is the InChIKey of 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is GWOIRSHVPYNOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6O2/c1-2-9(7-15-3-1)12-6-10(19-21-12)14-18-13(20-22-14)11-8-16-4-5-17-11/h1-8H.
What are the key properties of 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 292.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-(5-pyridin-3-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 100642564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).