N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide

C19H17BrN2O3 — CID 17014686

IUPACN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C19H17BrN2O3/c1-12-4-3-5-13(2)19(12)24-11-17(23)21-18-10-16(22-25-18)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyKWCIIRNOSSQJDL-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.74
Rot. Bonds5

About N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide

N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 17014686) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide
PubChem CID17014686
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC NameN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1cc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C19H17BrN2O3/c1-12-4-3-5-13(2)19(12)24-11-17(23)21-18-10-16(22-25-18)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyKWCIIRNOSSQJDL-UHFFFAOYSA-N
XLogP4.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 7517793
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9347968
N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689015
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
CID 17013529
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
CID 17014685
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 3-methoxybenzoate
CID 7594594
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
CID 17014692
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7523077
3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 60910796
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7519289

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide (CID 17014686) is N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccc(Br)cc2)no1.
What is the InChIKey of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is KWCIIRNOSSQJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-12-4-3-5-13(2)19(12)24-11-17(23)21-18-10-16(22-25-18)14-6-8-15(20)9-7-14/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide?
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 401.26 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 17014686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).