[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C17H19NO7 — CID 4790410

IUPAC[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1cc(C(=O)COC(=O)c2c(C)noc2C)cc(OC)c1OC
InChIInChI=1S/C17H19NO7/c1-9-15(10(2)25-18-9)17(20)24-8-12(19)11-6-13(21-3)16(23-5)14(7-11)22-4/h6-7H,8H2,1-5H3
InChIKeyDUPBYXYCGLOUMJ-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.36
Rot. Bonds7

About [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 4790410) has the molecular formula C17H19NO7 and a molecular weight of 349.34 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID4790410
Molecular FormulaC17H19NO7
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1cc(C(=O)COC(=O)c2c(C)noc2C)cc(OC)c1OC
InChIInChI=1S/C17H19NO7/c1-9-15(10(2)25-18-9)17(20)24-8-12(19)11-6-13(21-3)16(23-5)14(7-11)22-4/h6-7H,8H2,1-5H3
InChIKeyDUPBYXYCGLOUMJ-UHFFFAOYSA-N
XLogP2.36
TPSA97.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-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-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 4790410) is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is COc1cc(C(=O)COC(=O)c2c(C)noc2C)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is DUPBYXYCGLOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO7/c1-9-15(10(2)25-18-9)17(20)24-8-12(19)11-6-13(21-3)16(23-5)14(7-11)22-4/h6-7H,8H2,1-5H3.
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 349.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4790410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).