3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole

C15H10N4O2 — CID 167961435

IUPAC3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(-c3cc4ccccc4o3)no2)cn1
InChIInChI=1S/C15H10N4O2/c1-9-7-17-11(8-16-9)15-18-14(19-21-15)13-6-10-4-2-3-5-12(10)20-13/h2-8H,1H3
InChIKeyNQMUCGLKUACSBO-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.25
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole

3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 167961435) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID167961435
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(-c3cc4ccccc4o3)no2)cn1
InChIInChI=1S/C15H10N4O2/c1-9-7-17-11(8-16-9)15-18-14(19-21-15)13-6-10-4-2-3-5-12(10)20-13/h2-8H,1H3
InChIKeyNQMUCGLKUACSBO-UHFFFAOYSA-N
XLogP3.25
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (CID 167961435) is 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is Cc1cnc(-c2nc(-c3cc4ccccc4o3)no2)cn1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is NQMUCGLKUACSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c1-9-7-17-11(8-16-9)15-18-14(19-21-15)13-6-10-4-2-3-5-12(10)20-13/h2-8H,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 278.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167961435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).