3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

C13H13BrN2O2 — CID 79466321

IUPAC3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(C)c(Br)c2)no1
InChIInChI=1S/C13H13BrN2O2/c1-8-3-4-10(6-12(8)14)13(17)15-7-11-5-9(2)18-16-11/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyJGCHHRULHJXURM-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.98
Rot. Bonds3

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

3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 79466321) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID79466321
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(C)c(Br)c2)no1
InChIInChI=1S/C13H13BrN2O2/c1-8-3-4-10(6-12(8)14)13(17)15-7-11-5-9(2)18-16-11/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyJGCHHRULHJXURM-UHFFFAOYSA-N
XLogP2.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728860
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 79467462
6-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 62160023
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 55041801
4-amino-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 89340281
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 79466321) is 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(C)c(Br)c2)no1.
What is the InChIKey of 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is JGCHHRULHJXURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-3-4-10(6-12(8)14)13(17)15-7-11-5-9(2)18-16-11/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 309.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 79466321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).