2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole

C15H13BrN4O — CID 91336447

IUPAC2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)c1ncc(Br)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H13BrN4O/c1-9(2)12-13(18-11(16)8-17-12)15-20-19-14(21-15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyLEHRCTWTTPDINI-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.08
Rot. Bonds3

About 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole

2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 91336447) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID91336447
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)c1ncc(Br)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H13BrN4O/c1-9(2)12-13(18-11(16)8-17-12)15-20-19-14(21-15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyLEHRCTWTTPDINI-UHFFFAOYSA-N
XLogP4.08
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-bromo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]boranylideneamino]ethenone
CID 123242318
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 90763951
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(2-phenylphenyl)pyrazin-2-amine
CID 59471915
2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
CID 46202517
2-phenyl-4-propan-2-yl-5-propan-2-yloxy-1,3-oxazole
CID 25215073
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol
CID 91438968
2-phenyl-5-quinolin-3-yl-1,3,4-oxadiazole
CID 142733340
2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole (CID 91336447) is 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole is CC(C)c1ncc(Br)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is LEHRCTWTTPDINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-9(2)12-13(18-11(16)8-17-12)15-20-19-14(21-15)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole?
2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-propan-2-ylpyrazin-2-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 91336447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).