2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H13BrN2O3 — CID 110767842

IUPAC2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(Br)cc1CC(=O)Nc1cc(C)on1
InChIInChI=1S/C13H13BrN2O3/c1-8-5-12(16-19-8)15-13(17)7-9-6-10(14)3-4-11(9)18-2/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyNROBBUUXXLLNNH-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.94
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110767842) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110767842
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccc(Br)cc1CC(=O)Nc1cc(C)on1
InChIInChI=1S/C13H13BrN2O3/c1-8-5-12(16-19-8)15-13(17)7-9-6-10(14)3-4-11(9)18-2/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyNROBBUUXXLLNNH-UHFFFAOYSA-N
XLogP2.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxy-3-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110769878
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
N-(5-amino-2-pyridinyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 115273708
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534474
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
(Z)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 11838390
3-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119177169
2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 119187587
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9436247
(2R)-2-[[2-(5-bromo-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119244111

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110767842) is 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccc(Br)cc1CC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NROBBUUXXLLNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-8-5-12(16-19-8)15-13(17)7-9-6-10(14)3-4-11(9)18-2/h3-6H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 325.16 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110767842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).