[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate

C21H20N2O4 — CID 7517793

IUPAC[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)c3cccc(C)c3C)on2)cc1
InChIInChI=1S/C21H20N2O4/c1-13-7-9-16(10-8-13)18-11-20(27-23-18)22-19(24)12-26-21(25)17-6-4-5-14(2)15(17)3/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyNCBMMHSEODDXSY-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.06
Rot. Bonds5

About [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate

[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 7517793) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID7517793
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1ccc(-c2cc(NC(=O)COC(=O)c3cccc(C)c3C)on2)cc1
InChIInChI=1S/C21H20N2O4/c1-13-7-9-16(10-8-13)18-11-20(27-23-18)22-19(24)12-26-21(25)17-6-4-5-14(2)15(17)3/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyNCBMMHSEODDXSY-UHFFFAOYSA-N
XLogP4.06
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7523077
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 3-methoxybenzoate
CID 7594594
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672918
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7519289
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 17014686
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate
CID 9485670
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9347968
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7968230
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 9455525
2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9347106
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 18128883
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7517994

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate (CID 7517793) is [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate is Cc1ccc(-c2cc(NC(=O)COC(=O)c3cccc(C)c3C)on2)cc1.
What is the InChIKey of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is NCBMMHSEODDXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-7-9-16(10-8-13)18-11-20(27-23-18)22-19(24)12-26-21(25)17-6-4-5-14(2)15(17)3/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate?
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 364.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 7517793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).