[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate

C21H19N3O5 — CID 55449308

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19N3O5/c1-14(25)22-16-7-9-17(10-8-16)23-19(26)13-28-20(27)11-18-12-29-21(24-18)15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyUUJXYLMTSDUXEX-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.02
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 55449308) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID55449308
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2coc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19N3O5/c1-14(25)22-16-7-9-17(10-8-16)23-19(26)13-28-20(27)11-18-12-29-21(24-18)15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyUUJXYLMTSDUXEX-UHFFFAOYSA-N
XLogP3.02
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate with MolForge

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Related Compounds

ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449311
N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427929
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55459622
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449145
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 34318469
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate (CID 55449308) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate is CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2coc(-c3ccccc3)n2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is UUJXYLMTSDUXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-14(25)22-16-7-9-17(10-8-16)23-19(26)13-28-20(27)11-18-12-29-21(24-18)15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 393.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55449308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).