1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

C11H9BrN2O2 — CID 63344609

IUPAC1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(Cc2ccccc2Br)no1
InChIInChI=1S/C11H9BrN2O2/c1-7(15)11-13-10(14-16-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeyRURBUECUOSRVEW-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.63
Rot. Bonds3

About 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 63344609) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID63344609
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCC(=O)c1nc(Cc2ccccc2Br)no1
InChIInChI=1S/C11H9BrN2O2/c1-7(15)11-13-10(14-16-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeyRURBUECUOSRVEW-UHFFFAOYSA-N
XLogP2.63
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone 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

4-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344518
3-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344563
3-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835195
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 62828441
1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346765
1-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115506377
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349792
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346783
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 62828439
2-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 55123446
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 96592622

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 63344609) is 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is CC(=O)c1nc(Cc2ccccc2Br)no1.
What is the InChIKey of 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is RURBUECUOSRVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-7(15)11-13-10(14-16-11)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3.
What are the key properties of 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 281.11 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 63344609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).