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

C20H17N3O5 — CID 9126503

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H17N3O5/c1-21-20(26)23-17(24)12-27-19(25)15-10-6-5-9-14(15)18-22-11-16(28-18)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,21,23,24,26)
InChIKeyXRXQHBFCHHPSRN-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.62
Rot. Bonds5

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

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (PubChem CID 9126503) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
PubChem CID9126503
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H17N3O5/c1-21-20(26)23-17(24)12-27-19(25)15-10-6-5-9-14(15)18-22-11-16(28-18)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,21,23,24,26)
InChIKeyXRXQHBFCHHPSRN-UHFFFAOYSA-N
XLogP2.62
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(methylcarbamoylamino)-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-[[(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
butyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 22764943
[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
2,2,2-trifluoroethyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 60616964
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 27998707
cyanomethyl 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510359
(4-cyanophenyl)methyl 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 8003593
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
[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

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate (CID 9126503) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is CNC(=O)NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
The InChIKey is XRXQHBFCHHPSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-21-20(26)23-17(24)12-27-19(25)15-10-6-5-9-14(15)18-22-11-16(28-18)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,21,23,24,26).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate has a molecular weight of 379.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate is sourced from PubChem (CID 9126503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).