(2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate

C22H22N2O4 — CID 55378910

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCC(=O)NC(CC(=O)OCc1coc(-c2ccccc2)n1)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O4/c1-15-8-10-17(11-9-15)20(23-16(2)25)12-21(26)27-13-19-14-28-22(24-19)18-6-4-3-5-7-18/h3-11,14,20H,12-13H2,1-2H3,(H,23,25)
InChIKeyNRNCPJKLPSRRJK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.96
Rot. Bonds7

About (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate

(2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate (PubChem CID 55378910) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate
PubChem CID55378910
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCC(=O)NC(CC(=O)OCc1coc(-c2ccccc2)n1)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O4/c1-15-8-10-17(11-9-15)20(23-16(2)25)12-21(26)27-13-19-14-28-22(24-19)18-6-4-3-5-7-18/h3-11,14,20H,12-13H2,1-2H3,(H,23,25)
InChIKeyNRNCPJKLPSRRJK-UHFFFAOYSA-N
XLogP3.96
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxyethyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 86906524
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55547095
benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378852
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
(3-phenyl-1,2-oxazol-5-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55479074
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate (CID 55378910) is (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate is CC(=O)NC(CC(=O)OCc1coc(-c2ccccc2)n1)c1ccc(C)cc1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate?
The InChIKey is NRNCPJKLPSRRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-8-10-17(11-9-15)20(23-16(2)25)12-21(26)27-13-19-14-28-22(24-19)18-6-4-3-5-7-18/h3-11,14,20H,12-13H2,1-2H3,(H,23,25).
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate?
(2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate has a molecular weight of 378.43 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 3-acetamido-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55378910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).