4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C11H10BrN3O2 — CID 102852138

IUPAC4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(CBr)cc2)o1
InChIInChI=1S/C11H10BrN3O2/c1-7-14-15-11(17-7)13-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyVJCZHKLQIKNEFG-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.53
Rot. Bonds3

About 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 102852138) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID102852138
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(CBr)cc2)o1
InChIInChI=1S/C11H10BrN3O2/c1-7-14-15-11(17-7)13-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyVJCZHKLQIKNEFG-UHFFFAOYSA-N
XLogP2.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107980577
4-amino-3-hydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 102739312
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
4-(bromomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 102850771
2,6-dihydroxy-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 107689655
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
methyl 4-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973208
4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
CID 102852150
methyl 4-[[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 146021024
4-acetyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973731

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 102852138) is 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(CBr)cc2)o1.
What is the InChIKey of 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is VJCZHKLQIKNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-7-14-15-11(17-7)13-10(16)9-4-2-8(6-12)3-5-9/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 296.12 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 102852138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).