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

C13H13BrN2O2 — CID 47344966

IUPAC3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cccc(Br)c2)oc1C
InChIInChI=1S/C13H13BrN2O2/c1-8-9(2)18-12(16-8)7-15-13(17)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyGFMMFOWOSLVSKV-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.98
Rot. Bonds3

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

3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 47344966) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID47344966
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cccc(Br)c2)oc1C
InChIInChI=1S/C13H13BrN2O2/c1-8-9(2)18-12(16-8)7-15-13(17)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyGFMMFOWOSLVSKV-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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113226313
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-sulfanylbenzamide
CID 106377769
3-bromo-N-[3-[[N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylcarbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 109431538
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368262
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106377305
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 87043362
3-(azepan-1-ylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043422

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide (CID 47344966) is 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cccc(Br)c2)oc1C.
What is the InChIKey of 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is GFMMFOWOSLVSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-8-9(2)18-12(16-8)7-15-13(17)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
3-bromo-N-[(4,5-dimethyl-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 3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 47344966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).