2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

C19H13BrN4O — CID 90763951

IUPAC2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ncc(-c2ccccc2Br)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H13BrN4O/c1-12-17(19-24-23-18(25-19)13-7-3-2-4-8-13)22-16(11-21-12)14-9-5-6-10-15(14)20/h2-11H,1H3
InChIKeyGFLWZHNJMJXBNP-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.93
Rot. Bonds3

About 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 90763951) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID90763951
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC Name2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ncc(-c2ccccc2Br)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H13BrN4O/c1-12-17(19-24-23-18(25-19)13-7-3-2-4-8-13)22-16(11-21-12)14-9-5-6-10-15(14)20/h2-11H,1H3
InChIKeyGFLWZHNJMJXBNP-UHFFFAOYSA-N
XLogP4.93
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole (CID 90763951) is 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is Cc1ncc(-c2ccccc2Br)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GFLWZHNJMJXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c1-12-17(19-24-23-18(25-19)13-7-3-2-4-8-13)22-16(11-21-12)14-9-5-6-10-15(14)20/h2-11H,1H3.
What are the key properties of 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole?
2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 393.24 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 90763951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).