ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate

C19H24N2O5 — CID 66880488

IUPACethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1cc(-c2ncc(C)o2)ccc1C
InChIInChI=1S/C19H24N2O5/c1-5-24-17(22)11-21(12-18(23)25-6-2)16-9-15(8-7-13(16)3)19-20-10-14(4)26-19/h7-10H,5-6,11-12H2,1-4H3
InChIKeyXGCZHIIBEWVBMA-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.89
Rot. Bonds8

About ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate

ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate (PubChem CID 66880488) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate
PubChem CID66880488
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1cc(-c2ncc(C)o2)ccc1C
InChIInChI=1S/C19H24N2O5/c1-5-24-17(22)11-21(12-18(23)25-6-2)16-9-15(8-7-13(16)3)19-20-10-14(4)26-19/h7-10H,5-6,11-12H2,1-4H3
InChIKeyXGCZHIIBEWVBMA-UHFFFAOYSA-N
XLogP2.89
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate 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 ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate?
The IUPAC name of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate (CID 66880488) is ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate.
What is the SMILES notation for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate?
The canonical SMILES for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate is CCOC(=O)CN(CC(=O)OCC)c1cc(-c2ncc(C)o2)ccc1C.
What is the InChIKey of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate?
The InChIKey is XGCZHIIBEWVBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-5-24-17(22)11-21(12-18(23)25-6-2)16-9-15(8-7-13(16)3)19-20-10-14(4)26-19/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate?
ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate has a molecular weight of 360.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate is sourced from PubChem (CID 66880488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).