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

C15H9BrFN3O2 — CID 43971814

IUPAC3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccc(Br)c1
InChIInChI=1S/C15H9BrFN3O2/c16-11-5-1-3-9(7-11)13(21)18-15-20-19-14(22-15)10-4-2-6-12(17)8-10/h1-8H,(H,18,20,21)
InChIKeyCTJWKFRNWDNCRH-UHFFFAOYSA-N
MW362.16 g/mol
LogP3.89
Rot. Bonds3

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

3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43971814) has the molecular formula C15H9BrFN3O2 and a molecular weight of 362.16 g/mol. Its IUPAC name is 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43971814
Molecular FormulaC15H9BrFN3O2
Molecular Weight362.16 g/mol
Exact Mass360.99
IUPAC Name3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccc(Br)c1
InChIInChI=1S/C15H9BrFN3O2/c16-11-5-1-3-9(7-11)13(21)18-15-20-19-14(22-15)10-4-2-6-12(17)8-10/h1-8H,(H,18,20,21)
InChIKeyCTJWKFRNWDNCRH-UHFFFAOYSA-N
XLogP3.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839580
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 43971837
3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
3-bromo-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227338
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 42110849
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
N-(3-bromophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392563
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43971757
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43971814) is 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is CTJWKFRNWDNCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFN3O2/c16-11-5-1-3-9(7-11)13(21)18-15-20-19-14(22-15)10-4-2-6-12(17)8-10/h1-8H,(H,18,20,21).
What are the key properties of 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 362.16 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43971814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).