[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C18H20N2O6 — CID 7660608

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(CC)noc1C
InChIInChI=1S/C18H20N2O6/c1-4-13-16(11(3)26-20-13)18(23)25-10-15(21)19-14-9-7-6-8-12(14)17(22)24-5-2/h6-9H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyPZHJJLPWOUFEDE-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.52
Rot. Bonds7

About [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660608) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660608
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(CC)noc1C
InChIInChI=1S/C18H20N2O6/c1-4-13-16(11(3)26-20-13)18(23)25-10-15(21)19-14-9-7-6-8-12(14)17(22)24-5-2/h6-9H,4-5,10H2,1-3H3,(H,19,21)
InChIKeyPZHJJLPWOUFEDE-UHFFFAOYSA-N
XLogP2.52
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660608) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1c(CC)noc1C.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is PZHJJLPWOUFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-4-13-16(11(3)26-20-13)18(23)25-10-15(21)19-14-9-7-6-8-12(14)17(22)24-5-2/h6-9H,4-5,10H2,1-3H3,(H,19,21).
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).