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

C17H15BrN2O2 — CID 3107369

IUPAC1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2/c1-11-3-5-13(6-4-11)16-19-20(12(2)21)17(22-16)14-7-9-15(18)10-8-14/h3-10,17H,1-2H3
InChIKeyVVIAOVQAUVXUMH-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.00
Rot. Bonds2

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

1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 3107369) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID3107369
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O2/c1-11-3-5-13(6-4-11)16-19-20(12(2)21)17(22-16)14-7-9-15(18)10-8-14/h3-10,17H,1-2H3
InChIKeyVVIAOVQAUVXUMH-UHFFFAOYSA-N
XLogP4.00
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-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

1-[5-(4-bromophenyl)-2-(4-chlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579011
1-[2,5-bis(4-methylphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3107378
1-[5-(4-methylphenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3897232
1-[(2R)-5-(4-bromophenyl)-2-(4-chlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465289
1-[5-(4-bromophenyl)-2-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 127029589
1-[2-(4-fluorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579012
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 10890805
1-[2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579013
N-[(2-bromophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 17509124
1-[2-(3-Bromophenyl)-5-(naphthalen-2-YL)-2,3-dihydro-1,3,4-oxadiazol-3-YL]ethan-1-one
CID 22577211
1-[5-(4-methylphenyl)-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579009

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 3107369) is 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is VVIAOVQAUVXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-11-3-5-13(6-4-11)16-19-20(12(2)21)17(22-16)14-7-9-15(18)10-8-14/h3-10,17H,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 359.22 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-5-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 3107369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).