4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C15H9Br2N3O2 — CID 16821866

IUPAC4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2N3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChIKeyVTAIHTFXIKHTLU-UHFFFAOYSA-N
MW423.06 g/mol
LogP4.51
Rot. Bonds3

About 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16821866) has the molecular formula C15H9Br2N3O2 and a molecular weight of 423.06 g/mol. Its IUPAC name is 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16821866
Molecular FormulaC15H9Br2N3O2
Molecular Weight423.06 g/mol
Exact Mass420.91
IUPAC Name4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2N3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChIKeyVTAIHTFXIKHTLU-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.06
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide 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-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 16821911
4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4591135
2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45019880
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 16821894
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16821866) is 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is VTAIHTFXIKHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2N3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21).
What are the key properties of 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 423.06 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16821866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).