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

C22H16BrN3O3 — CID 27876772

IUPAC2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C22H16BrN3O3/c23-16-8-6-7-15(13-16)21-25-20(29-26-21)14-28-19-12-5-4-11-18(19)22(27)24-17-9-2-1-3-10-17/h1-13H,14H2,(H,24,27)
InChIKeyJJDLTCCRIKBOGB-UHFFFAOYSA-N
MW450.29 g/mol
LogP5.33
Rot. Bonds6

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

2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide (PubChem CID 27876772) has the molecular formula C22H16BrN3O3 and a molecular weight of 450.29 g/mol. Its IUPAC name is 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
PubChem CID27876772
Molecular FormulaC22H16BrN3O3
Molecular Weight450.29 g/mol
Exact Mass449.04
IUPAC Name2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1OCc1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C22H16BrN3O3/c23-16-8-6-7-15(13-16)21-25-20(29-26-21)14-28-19-12-5-4-11-18(19)22(27)24-17-9-2-1-3-10-17/h1-13H,14H2,(H,24,27)
InChIKeyJJDLTCCRIKBOGB-UHFFFAOYSA-N
XLogP5.33
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.29
LogP ≤ 55.33
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]benzamide
CID 9353549
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106
1-[2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-5-fluorophenyl]ethanone
CID 112797296
N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238419
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237851
N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530
2-ethoxy-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041700
3-(3-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 9013448
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
3-(3-bromophenyl)-5-[(2,3-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 8895288
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide?
The IUPAC name of 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide (CID 27876772) is 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OCc1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide?
The InChIKey is JJDLTCCRIKBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O3/c23-16-8-6-7-15(13-16)21-25-20(29-26-21)14-28-19-12-5-4-11-18(19)22(27)24-17-9-2-1-3-10-17/h1-13H,14H2,(H,24,27).
What are the key properties of 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide?
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide has a molecular weight of 450.29 g/mol, XLogP of 5.33, 6 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]-N-phenylbenzamide is sourced from PubChem (CID 27876772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).