2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole

C12H11BrN2O2 — CID 89105623

IUPAC2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cc(Br)ccc1/C=C/c1nnc(C)o1
InChIInChI=1S/C12H11BrN2O2/c1-8-14-15-12(17-8)6-4-9-3-5-10(13)7-11(9)16-2/h3-7H,1-2H3/b6-4+
InChIKeyTVJFEPWYNADNLI-GQCTYLIASA-N
MW295.14 g/mol
LogP3.32
Rot. Bonds3

About 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole

2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 89105623) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID89105623
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cc(Br)ccc1/C=C/c1nnc(C)o1
InChIInChI=1S/C12H11BrN2O2/c1-8-14-15-12(17-8)6-4-9-3-5-10(13)7-11(9)16-2/h3-7H,1-2H3/b6-4+
InChIKeyTVJFEPWYNADNLI-GQCTYLIASA-N
XLogP3.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole (CID 89105623) is 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole is COc1cc(Br)ccc1/C=C/c1nnc(C)o1.
What is the InChIKey of 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is TVJFEPWYNADNLI-GQCTYLIASA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-14-15-12(17-8)6-4-9-3-5-10(13)7-11(9)16-2/h3-7H,1-2H3/b6-4+.
What are the key properties of 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole?
2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 295.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 89105623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).