[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate

C23H24N2O4 — CID 8510393

IUPAC[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCCCCNC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C23H24N2O4/c1-3-4-13-24-21(26)15-28-23(27)19-8-6-5-7-18(19)22-25-14-20(29-22)17-11-9-16(2)10-12-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,26)
InChIKeyZCLYVNNXLJOMBY-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.39
Rot. Bonds8

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

[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 8510393) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Name[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
PubChem CID8510393
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCCCCNC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C23H24N2O4/c1-3-4-13-24-21(26)15-28-23(27)19-8-6-5-7-18(19)22-25-14-20(29-22)17-11-9-16(2)10-12-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,26)
InChIKeyZCLYVNNXLJOMBY-UHFFFAOYSA-N
XLogP4.39
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510395
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 27998707
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126631
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126519
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510430
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzohydrazide
CID 55405796

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (CID 8510393) is [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is CCCCNC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccc(C)cc2)o1.
What is the InChIKey of [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is ZCLYVNNXLJOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-4-13-24-21(26)15-28-23(27)19-8-6-5-7-18(19)22-25-14-20(29-22)17-11-9-16(2)10-12-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,26).
What are the key properties of [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 392.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 8510393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).