N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide

C12H9Cl3N2O3 — CID 7894277

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)no1
InChIInChI=1S/C12H9Cl3N2O3/c1-6-2-10(17-20-6)16-11(18)5-19-12-8(14)3-7(13)4-9(12)15/h2-4H,5H2,1H3,(H,16,17,18)
InChIKeyAQUGJUJKLMMEGH-UHFFFAOYSA-N
MW335.57 g/mol
LogP3.96
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 7894277) has the molecular formula C12H9Cl3N2O3 and a molecular weight of 335.57 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID7894277
Molecular FormulaC12H9Cl3N2O3
Molecular Weight335.57 g/mol
Exact Mass333.97
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)no1
InChIInChI=1S/C12H9Cl3N2O3/c1-6-2-10(17-20-6)16-11(18)5-19-12-8(14)3-7(13)4-9(12)15/h2-4H,5H2,1H3,(H,16,17,18)
InChIKeyAQUGJUJKLMMEGH-UHFFFAOYSA-N
XLogP3.96
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
methyl 4-chloro-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoate
CID 47021954
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681045
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7702948
3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 60910796
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2510840
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
2-(2-benzyl-4-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671468
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174485

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide (CID 7894277) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide is Cc1cc(NC(=O)COc2c(Cl)cc(Cl)cc2Cl)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is AQUGJUJKLMMEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O3/c1-6-2-10(17-20-6)16-11(18)5-19-12-8(14)3-7(13)4-9(12)15/h2-4H,5H2,1H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 335.57 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 7894277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).