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

C21H20N2O4 — CID 16878494

IUPACethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(C)cc3)on2)cc1
InChIInChI=1S/C21H20N2O4/c1-3-26-21(25)16-8-10-17(11-9-16)22-20(24)13-18-12-19(27-23-18)15-6-4-14(2)5-7-15/h4-12H,3,13H2,1-2H3,(H,22,24)
InChIKeyQCBZXEYIMKSDPN-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.01
Rot. Bonds6

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

ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate (PubChem CID 16878494) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
PubChem CID16878494
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Nameethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(C)cc3)on2)cc1
InChIInChI=1S/C21H20N2O4/c1-3-26-21(25)16-8-10-17(11-9-16)22-20(24)13-18-12-19(27-23-18)15-6-4-14(2)5-7-15/h4-12H,3,13H2,1-2H3,(H,22,24)
InChIKeyQCBZXEYIMKSDPN-UHFFFAOYSA-N
XLogP4.01
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878495
N-(4-ethoxyphenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878488
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-(4-ethoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878327
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
CID 17488167
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate (CID 16878494) is ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cc2cc(-c3ccc(C)cc3)on2)cc1.
What is the InChIKey of ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
The InChIKey is QCBZXEYIMKSDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-26-21(25)16-8-10-17(11-9-16)22-20(24)13-18-12-19(27-23-18)15-6-4-14(2)5-7-15/h4-12H,3,13H2,1-2H3,(H,22,24).
What are the key properties of ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate?
ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate has a molecular weight of 364.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 16878494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).