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

C14H12N4O — CID 71932017

IUPAC3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(Cc3ccccc3)no2)cn1
InChIInChI=1S/C14H12N4O/c1-10-8-16-12(9-15-10)14-17-13(18-19-14)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKeySUGLEJFJSUGJEX-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.43
Rot. Bonds3

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

3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (PubChem CID 71932017) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
PubChem CID71932017
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
SMILESCc1cnc(-c2nc(Cc3ccccc3)no2)cn1
InChIInChI=1S/C14H12N4O/c1-10-8-16-12(9-15-10)14-17-13(18-19-14)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKeySUGLEJFJSUGJEX-UHFFFAOYSA-N
XLogP2.43
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole (CID 71932017) is 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is Cc1cnc(-c2nc(Cc3ccccc3)no2)cn1.
What is the InChIKey of 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SUGLEJFJSUGJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-8-16-12(9-15-10)14-17-13(18-19-14)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3.
What are the key properties of 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole?
3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 252.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71932017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).