methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate

C21H20N2O4 — CID 110650660

IUPACmethyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C21H20N2O4/c1-14-18(23-20(27-14)15-6-4-3-5-7-15)12-13-19(24)22-17-10-8-16(9-11-17)21(25)26-2/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyVRYBCYLMYKQLIM-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.01
Rot. Bonds6

About methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate

methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate (PubChem CID 110650660) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate
PubChem CID110650660
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C21H20N2O4/c1-14-18(23-20(27-14)15-6-4-3-5-7-15)12-13-19(24)22-17-10-8-16(9-11-17)21(25)26-2/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyVRYBCYLMYKQLIM-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

N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110650112
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-(2-methoxyethyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110647568
N-(2,6-difluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110651429
methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
CID 46552527
methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424245
N-(2-methoxyphenyl)-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16614446
[2-(4-acetylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727457
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate?
The IUPAC name of methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate (CID 110650660) is methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate?
The InChIKey is VRYBCYLMYKQLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-18(23-20(27-14)15-6-4-3-5-7-15)12-13-19(24)22-17-10-8-16(9-11-17)21(25)26-2/h3-11H,12-13H2,1-2H3,(H,22,24).
What are the key properties of methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate?
methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]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 methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate is sourced from PubChem (CID 110650660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).