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

C13H13BrN2O2 — CID 113339241

IUPAC2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cccc(C)c2Br)o1
InChIInChI=1S/C13H13BrN2O2/c1-8-4-3-5-10(12(8)14)13(17)16-7-11-15-6-9(2)18-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyAWYDVYHLFRSOCZ-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.98
Rot. Bonds3

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

2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 113339241) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID113339241
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cccc(C)c2Br)o1
InChIInChI=1S/C13H13BrN2O2/c1-8-4-3-5-10(12(8)14)13(17)16-7-11-15-6-9(2)18-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyAWYDVYHLFRSOCZ-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

2-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106377528
5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368587
2-amino-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368567
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106377156
2,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104919948
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
5-bromo-2-iodo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113246934
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106377114
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzamide
CID 107984081
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (CID 113339241) is 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2cccc(C)c2Br)o1.
What is the InChIKey of 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is AWYDVYHLFRSOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-4-3-5-10(12(8)14)13(17)16-7-11-15-6-9(2)18-11/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-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 2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113339241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).