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

C23H24N2O4 — CID 8510395

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)NCC(C)C)o2)cc1
InChIInChI=1S/C23H24N2O4/c1-15(2)12-24-21(26)14-28-23(27)19-7-5-4-6-18(19)22-25-13-20(29-22)17-10-8-16(3)9-11-17/h4-11,13,15H,12,14H2,1-3H3,(H,24,26)
InChIKeyYSOOAFDRDXRNIM-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.25
Rot. Bonds7

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

[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (PubChem CID 8510395) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
PubChem CID8510395
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)NCC(C)C)o2)cc1
InChIInChI=1S/C23H24N2O4/c1-15(2)12-24-21(26)14-28-23(27)19-7-5-4-6-18(19)22-25-13-20(29-22)17-10-8-16(3)9-11-17/h4-11,13,15H,12,14H2,1-3H3,(H,24,26)
InChIKeyYSOOAFDRDXRNIM-UHFFFAOYSA-N
XLogP4.25
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate with MolForge

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Related Compounds

[2-(butylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510393
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 27998707
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126519
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126631
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylpropyl)benzamide
CID 100503798
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510430
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate (CID 8510395) is [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is Cc1ccc(-c2cnc(-c3ccccc3C(=O)OCC(=O)NCC(C)C)o2)cc1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
The InChIKey is YSOOAFDRDXRNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15(2)12-24-21(26)14-28-23(27)19-7-5-4-6-18(19)22-25-13-20(29-22)17-10-8-16(3)9-11-17/h4-11,13,15H,12,14H2,1-3H3,(H,24,26).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate has a molecular weight of 392.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate is sourced from PubChem (CID 8510395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).