2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H12BrClN2O3 — CID 2620897

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2c(C)cc(Br)cc2Cl)no1
InChIInChI=1S/C13H12BrClN2O3/c1-7-3-9(14)5-10(15)13(7)19-6-12(18)16-11-4-8(2)20-17-11/h3-5H,6H2,1-2H3,(H,16,17,18)
InChIKeyIQWAHWRLTMDJJT-UHFFFAOYSA-N
MW359.61 g/mol
LogP3.72
Rot. Bonds4

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2620897) has the molecular formula C13H12BrClN2O3 and a molecular weight of 359.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2620897
Molecular FormulaC13H12BrClN2O3
Molecular Weight359.61 g/mol
Exact Mass357.97
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2c(C)cc(Br)cc2Cl)no1
InChIInChI=1S/C13H12BrClN2O3/c1-7-3-9(14)5-10(15)13(7)19-6-12(18)16-11-4-8(2)20-17-11/h3-5H,6H2,1-2H3,(H,16,17,18)
InChIKeyIQWAHWRLTMDJJT-UHFFFAOYSA-N
XLogP3.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.61
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7894277
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7715455
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4813283
N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 7233534
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
methyl 3-bromo-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
CID 36533845
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7233584
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 9338815
2-(4-bromo-2-chloro-6-methylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 7629417

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2620897) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COc2c(C)cc(Br)cc2Cl)no1.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IQWAHWRLTMDJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O3/c1-7-3-9(14)5-10(15)13(7)19-6-12(18)16-11-4-8(2)20-17-11/h3-5H,6H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 359.61 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2620897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).