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

C15H9BrClN3O2 — CID 3315017

IUPAC2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Br
InChIInChI=1S/C15H9BrClN3O2/c16-12-4-2-1-3-11(12)13(21)18-15-20-19-14(22-15)9-5-7-10(17)8-6-9/h1-8H,(H,18,20,21)
InChIKeyONZZORAJENSXMQ-UHFFFAOYSA-N
MW378.61 g/mol
LogP4.40
Rot. Bonds3

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

2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3315017) has the molecular formula C15H9BrClN3O2 and a molecular weight of 378.61 g/mol. Its IUPAC name is 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID3315017
Molecular FormulaC15H9BrClN3O2
Molecular Weight378.61 g/mol
Exact Mass376.96
IUPAC Name2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Br
InChIInChI=1S/C15H9BrClN3O2/c16-12-4-2-1-3-11(12)13(21)18-15-20-19-14(22-15)9-5-7-10(17)8-6-9/h1-8H,(H,18,20,21)
InChIKeyONZZORAJENSXMQ-UHFFFAOYSA-N
XLogP4.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4128171
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 4531090
4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 691499
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 805087
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294
1-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea
CID 2444737
4-acetyl-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4456705
3-chloro-N-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 43972351
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-cyanoacetamide
CID 155530097
3-bromo-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3400513
4-bromo-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4106253
3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244081

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3315017) is 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ONZZORAJENSXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O2/c16-12-4-2-1-3-11(12)13(21)18-15-20-19-14(22-15)9-5-7-10(17)8-6-9/h1-8H,(H,18,20,21).
What are the key properties of 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 378.61 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3315017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).