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

C21H14BrN3O2 — CID 1087659

IUPAC4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3O2/c22-17-10-6-14(7-11-17)19(26)23-18-12-8-16(9-13-18)21-25-24-20(27-21)15-4-2-1-3-5-15/h1-13H,(H,23,26)
InChIKeyDNUWWLLMFSYSDB-UHFFFAOYSA-N
MW420.27 g/mol
LogP5.42
Rot. Bonds4

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

4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 1087659) has the molecular formula C21H14BrN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID1087659
Molecular FormulaC21H14BrN3O2
Molecular Weight420.27 g/mol
Exact Mass419.03
IUPAC Name4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C21H14BrN3O2/c22-17-10-6-14(7-11-17)19(26)23-18-12-8-16(9-13-18)21-25-24-20(27-21)15-4-2-1-3-5-15/h1-13H,(H,23,26)
InChIKeyDNUWWLLMFSYSDB-UHFFFAOYSA-N
XLogP5.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.27
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
N,N-dimethyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 671915
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1300425
2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio}-N-1-naphthylacetamide
CID 2191947
2,2,2-trifluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 754945
N-(4-bromophenyl)-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 1112655
N-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2231948
1-(4-Bromophenyl)-2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 70690104
N-(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl) benzamide
CID 71458829
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 976589
4-fluoro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 4328418

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 1087659) is 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is DNUWWLLMFSYSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O2/c22-17-10-6-14(7-11-17)19(26)23-18-12-8-16(9-13-18)21-25-24-20(27-21)15-4-2-1-3-5-15/h1-13H,(H,23,26).
What are the key properties of 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 420.27 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1087659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).