methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate

C20H18N2O4 — CID 16878495

IUPACmethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(C)cc3)on2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-3-5-14(6-4-13)18-11-17(22-26-18)12-19(23)21-16-9-7-15(8-10-16)20(24)25-2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyKTUUXDAODVWADZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.62
Rot. Bonds5

About methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate

methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate (PubChem CID 16878495) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
PubChem CID16878495
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(C)cc3)on2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-3-5-14(6-4-13)18-11-17(22-26-18)12-19(23)21-16-9-7-15(8-10-16)20(24)25-2/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyKTUUXDAODVWADZ-UHFFFAOYSA-N
XLogP3.62
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878494
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
N-(4-ethoxyphenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878488
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 16878555
N-(4-hydroxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 155556405
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16878418
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16878662
N-(4-ethoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878327

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate (CID 16878495) is methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(C)cc3)on2)cc1.
What is the InChIKey of methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The InChIKey is KTUUXDAODVWADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-3-5-14(6-4-13)18-11-17(22-26-18)12-19(23)21-16-9-7-15(8-10-16)20(24)25-2/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate has a molecular weight of 350.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 16878495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).