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

C20H18N2O5 — CID 55543032

IUPAC[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
SMILESCc1ccc(-c2nc(COC(=O)c3ccccc3OCC(N)=O)co2)cc1
InChIInChI=1S/C20H18N2O5/c1-13-6-8-14(9-7-13)19-22-15(10-26-19)11-27-20(24)16-4-2-3-5-17(16)25-12-18(21)23/h2-10H,11-12H2,1H3,(H2,21,23)
InChIKeyZUTNILFLJSGWBI-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.87
Rot. Bonds7

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

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate (PubChem CID 55543032) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
PubChem CID55543032
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
SMILESCc1ccc(-c2nc(COC(=O)c3ccccc3OCC(N)=O)co2)cc1
InChIInChI=1S/C20H18N2O5/c1-13-6-8-14(9-7-13)19-22-15(10-26-19)11-27-20(24)16-4-2-3-5-17(16)25-12-18(21)23/h2-10H,11-12H2,1H3,(H2,21,23)
InChIKeyZUTNILFLJSGWBI-UHFFFAOYSA-N
XLogP2.87
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 31700030
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55547095
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylquinoline-4-carboxylate
CID 16508797
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 47030230
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
CID 55542490
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
(2-phenyl-1,3-oxazol-4-yl)methyl 7-fluoro-2-methylquinoline-3-carboxylate
CID 36757589
(2-phenyl-1,3-oxazol-4-yl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 16602374

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate (CID 55543032) is [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate is Cc1ccc(-c2nc(COC(=O)c3ccccc3OCC(N)=O)co2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is ZUTNILFLJSGWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-13-6-8-14(9-7-13)19-22-15(10-26-19)11-27-20(24)16-4-2-3-5-17(16)25-12-18(21)23/h2-10H,11-12H2,1H3,(H2,21,23).
What are the key properties of [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate?
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 366.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 55543032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).