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

C16H12BrN3O2 — CID 43976122

IUPACN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1
InChIInChI=1S/C16H12BrN3O2/c1-10-4-2-5-11(8-10)14(21)18-16-20-19-15(22-16)12-6-3-7-13(17)9-12/h2-9H,1H3,(H,18,20,21)
InChIKeyKJQLBRXALJLSBF-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.06
Rot. Bonds3

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

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide (PubChem CID 43976122) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
PubChem CID43976122
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1
InChIInChI=1S/C16H12BrN3O2/c1-10-4-2-5-11(8-10)14(21)18-16-20-19-15(22-16)12-6-3-7-13(17)9-12/h2-9H,1H3,(H,18,20,21)
InChIKeyKJQLBRXALJLSBF-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.06
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
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
3-bromo-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227338
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16854742
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 43976786
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide (CID 43976122) is N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The InChIKey is KJQLBRXALJLSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-10-4-2-5-11(8-10)14(21)18-16-20-19-15(22-16)12-6-3-7-13(17)9-12/h2-9H,1H3,(H,18,20,21).
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide has a molecular weight of 358.20 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 43976122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).