diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate

C18H23NO6 — CID 11302523

IUPACdiethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)N=C(C)OC1c1ccccc1OCC
InChIInChI=1S/C18H23NO6/c1-5-22-14-11-9-8-10-13(14)15-18(16(20)23-6-2,17(21)24-7-3)19-12(4)25-15/h8-11,15H,5-7H2,1-4H3
InChIKeyDCEQBTIGPSCQRX-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.44
Rot. Bonds7

About diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate

diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate (PubChem CID 11302523) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate
PubChem CID11302523
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Namediethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)N=C(C)OC1c1ccccc1OCC
InChIInChI=1S/C18H23NO6/c1-5-22-14-11-9-8-10-13(14)15-18(16(20)23-6-2,17(21)24-7-3)19-12(4)25-15/h8-11,15H,5-7H2,1-4H3
InChIKeyDCEQBTIGPSCQRX-UHFFFAOYSA-N
XLogP2.44
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate 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-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114339
3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one
CID 82131092
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
ethyl 1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate
CID 3293337
2-(2-ethoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82114526
2-(2-ethoxyphenyl)-1,3-dioxol-4-ol
CID 70227941
ethyl 2,4-dimethyl-5-oxo-1,3-oxazole-4-carboxylate
CID 154091027
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
CID 101464653
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
(4R)-5-acetyl-2-amino-4-(2-ethoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
CID 968125

Frequently Asked Questions

What is the IUPAC name of diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate?
The IUPAC name of diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate (CID 11302523) is diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate.
What is the SMILES notation for diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate?
The canonical SMILES for diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate is CCOC(=O)C1(C(=O)OCC)N=C(C)OC1c1ccccc1OCC.
What is the InChIKey of diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate?
The InChIKey is DCEQBTIGPSCQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-5-22-14-11-9-8-10-13(14)15-18(16(20)23-6-2,17(21)24-7-3)19-12(4)25-15/h8-11,15H,5-7H2,1-4H3.
What are the key properties of diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate?
diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate has a molecular weight of 349.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate is sourced from PubChem (CID 11302523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).