2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide

C13H13BrN2O2 — CID 113339739

IUPAC2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2onc(C)c2C)c1Br
InChIInChI=1S/C13H13BrN2O2/c1-7-5-4-6-10(11(7)14)12(17)15-13-8(2)9(3)16-18-13/h4-6H,1-3H3,(H,15,17)
InChIKeyHMNZQAJMBNHSEE-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.61
Rot. Bonds2

About 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide

2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide (PubChem CID 113339739) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
PubChem CID113339739
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2onc(C)c2C)c1Br
InChIInChI=1S/C13H13BrN2O2/c1-7-5-4-6-10(11(7)14)12(17)15-13-8(2)9(3)16-18-13/h4-6H,1-3H3,(H,15,17)
InChIKeyHMNZQAJMBNHSEE-UHFFFAOYSA-N
XLogP3.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 113386525
2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 114372486
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154
6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65479587
2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103853900

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide (CID 113339739) is 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2onc(C)c2C)c1Br.
What is the InChIKey of 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide?
The InChIKey is HMNZQAJMBNHSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-7-5-4-6-10(11(7)14)12(17)15-13-8(2)9(3)16-18-13/h4-6H,1-3H3,(H,15,17).
What are the key properties of 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide?
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide has a molecular weight of 309.16 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide is sourced from PubChem (CID 113339739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).