[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate

C20H17ClN2O4 — CID 42295659

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
SMILESO=C(COC(=O)CCc1ncc(-c2ccccc2)o1)Nc1ccccc1Cl
InChIInChI=1S/C20H17ClN2O4/c21-15-8-4-5-9-16(15)23-18(24)13-26-20(25)11-10-19-22-12-17(27-19)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,23,24)
InChIKeyWTEUTFQIVUEOAT-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.11
Rot. Bonds7

About [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate

[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate (PubChem CID 42295659) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
PubChem CID42295659
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
SMILESO=C(COC(=O)CCc1ncc(-c2ccccc2)o1)Nc1ccccc1Cl
InChIInChI=1S/C20H17ClN2O4/c21-15-8-4-5-9-16(15)23-18(24)13-26-20(25)11-10-19-22-12-17(27-19)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,23,24)
InChIKeyWTEUTFQIVUEOAT-UHFFFAOYSA-N
XLogP4.11
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490524
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603315
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 167759952
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579833
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51316456
dimethyl 5-[[2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 16579925
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603298
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490406
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871123
phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490600

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate (CID 42295659) is [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate is O=C(COC(=O)CCc1ncc(-c2ccccc2)o1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The InChIKey is WTEUTFQIVUEOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-15-8-4-5-9-16(15)23-18(24)13-26-20(25)11-10-19-22-12-17(27-19)14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,23,24).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate?
[2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 384.82 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 42295659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).