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

C21H20N2O4 — CID 110424102

IUPACmethyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2nc(-c3ccccc3C)oc2C)c1
InChIInChI=1S/C21H20N2O4/c1-13-7-4-5-10-17(13)20-23-18(14(2)27-20)12-19(24)22-16-9-6-8-15(11-16)21(25)26-3/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyQLRGRPYETATZMX-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.93
Rot. Bonds5

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

methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate (PubChem CID 110424102) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
PubChem CID110424102
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2nc(-c3ccccc3C)oc2C)c1
InChIInChI=1S/C21H20N2O4/c1-13-7-4-5-10-17(13)20-23-18(14(2)27-20)12-19(24)22-16-9-6-8-15(11-16)21(25)26-3/h4-11H,12H2,1-3H3,(H,22,24)
InChIKeyQLRGRPYETATZMX-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424245
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110371758
N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356063
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425941
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 110428440
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 110673678
N-(3-acetamidophenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356085
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 110425935

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate (CID 110424102) is methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2nc(-c3ccccc3C)oc2C)c1.
What is the InChIKey of methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate?
The InChIKey is QLRGRPYETATZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-7-4-5-10-17(13)20-23-18(14(2)27-20)12-19(24)22-16-9-6-8-15(11-16)21(25)26-3/h4-11H,12H2,1-3H3,(H,22,24).
What are the key properties of methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate?
methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate has a molecular weight of 364.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 110424102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).