[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

C20H17N3O5 — CID 9126631

IUPAC[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESNC(=O)CNC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H17N3O5/c21-17(24)11-22-18(25)12-27-20(26)15-9-5-4-8-14(15)19-23-10-16(28-19)13-6-2-1-3-7-13/h1-10H,11-12H2,(H2,21,24)(H,22,25)
InChIKeyJTQWVICKLKHPQX-UHFFFAOYSA-N
MW379.37 g/mol
LogP1.77
Rot. Bonds7

About [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (PubChem CID 9126631) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
PubChem CID9126631
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESNC(=O)CNC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H17N3O5/c21-17(24)11-22-18(25)12-27-20(26)15-9-5-4-8-14(15)19-23-10-16(28-19)13-6-2-1-3-7-13/h1-10H,11-12H2,(H2,21,24)(H,22,25)
InChIKeyJTQWVICKLKHPQX-UHFFFAOYSA-N
XLogP1.77
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126503
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 9126519
[2-(2-methylpropylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510395
[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
2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 60616964
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 8003593
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 38167689
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 35486402

Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The IUPAC name of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (CID 9126631) is [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.
What is the SMILES notation for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The canonical SMILES for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is NC(=O)CNC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The InChIKey is JTQWVICKLKHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c21-17(24)11-22-18(25)12-27-20(26)15-9-5-4-8-14(15)19-23-10-16(28-19)13-6-2-1-3-7-13/h1-10H,11-12H2,(H2,21,24)(H,22,25).
What are the key properties of [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate has a molecular weight of 379.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 9126631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).