ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate

C20H18N2O4 — CID 51262315

IUPACethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H18N2O4/c1-2-25-20(24)15-9-6-10-16(11-15)21-18(23)12-17-13-26-19(22-17)14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H,21,23)
InChIKeyACAWERFNRYFJHM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.70
Rot. Bonds6

About ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate

ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate (PubChem CID 51262315) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
PubChem CID51262315
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H18N2O4/c1-2-25-20(24)15-9-6-10-16(11-15)21-18(23)12-17-13-26-19(22-17)14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H,21,23)
InChIKeyACAWERFNRYFJHM-UHFFFAOYSA-N
XLogP3.70
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
N-[3-[(dimethylamino)methyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86932024
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(propylsulfonylamino)benzoate
CID 55553535
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 34318469
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34304284
N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427929
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate (CID 51262315) is ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)Cc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate?
The InChIKey is ACAWERFNRYFJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-25-20(24)15-9-6-10-16(11-15)21-18(23)12-17-13-26-19(22-17)14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H,21,23).
What are the key properties of ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate?
ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate has a molecular weight of 350.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 51262315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).