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

C16H12BrN3O3 — CID 9353549

IUPAC2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C16H12BrN3O3/c17-11-5-3-4-10(8-11)16-19-14(23-20-16)9-22-13-7-2-1-6-12(13)15(18)21/h1-8H,9H2,(H2,18,21)
InChIKeyBXFTVKDUJGTGBU-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.18
Rot. Bonds5

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

2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (PubChem CID 9353549) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
PubChem CID9353549
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C16H12BrN3O3/c17-11-5-3-4-10(8-11)16-19-14(23-20-16)9-22-13-7-2-1-6-12(13)15(18)21/h1-8H,9H2,(H2,18,21)
InChIKeyBXFTVKDUJGTGBU-UHFFFAOYSA-N
XLogP3.18
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
CID 27876772
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
1-[2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-5-fluorophenyl]ethanone
CID 112797296
3-(3-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 9013448
3-(3-bromophenyl)-5-[(2,3-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 8895288
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-phenylcyclopropane-1-carboxylate
CID 8641401
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 9343797
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-hydroxyethylamino)benzoate
CID 30764032
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-pyridin-2-ylprop-2-enoate
CID 55739685
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16565180
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chlorobenzoate
CID 9014275
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxybenzoate
CID 9011220

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The IUPAC name of 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (CID 9353549) is 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The canonical SMILES for 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is NC(=O)c1ccccc1OCc1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The InChIKey is BXFTVKDUJGTGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c17-11-5-3-4-10(8-11)16-19-14(23-20-16)9-22-13-7-2-1-6-12(13)15(18)21/h1-8H,9H2,(H2,18,21).
What are the key properties of 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide has a molecular weight of 374.19 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 9353549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).