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

C22H16BrN3O2 — CID 22433640

IUPAC2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1nnc(-c2ccccc2)o1)c1ccccc1Br
InChIInChI=1S/C22H16BrN3O2/c23-18-14-8-7-13-17(18)20(27)24-19(15-9-3-1-4-10-15)22-26-25-21(28-22)16-11-5-2-6-12-16/h1-14,19H,(H,24,27)
InChIKeyWIOFXEXTBICMKP-UHFFFAOYSA-N
MW434.29 g/mol
LogP5.02
Rot. Bonds5

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

2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 22433640) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID22433640
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC Name2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1nnc(-c2ccccc2)o1)c1ccccc1Br
InChIInChI=1S/C22H16BrN3O2/c23-18-14-8-7-13-17(18)20(27)24-19(15-9-3-1-4-10-15)22-26-25-21(28-22)16-11-5-2-6-12-16/h1-14,19H,(H,24,27)
InChIKeyWIOFXEXTBICMKP-UHFFFAOYSA-N
XLogP5.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.29
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159583
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 92725599
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 92873818
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92873762
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylbenzamide
CID 27088552
1-(4-bromo-3-methylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92711061
2,6-difluoro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46345862
4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 22433640) is 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(NC(c1ccccc1)c1nnc(-c2ccccc2)o1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is WIOFXEXTBICMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c23-18-14-8-7-13-17(18)20(27)24-19(15-9-3-1-4-10-15)22-26-25-21(28-22)16-11-5-2-6-12-16/h1-14,19H,(H,24,27).
What are the key properties of 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 434.29 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 22433640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).