ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate

C16H20N2O5 — CID 90431118

IUPACethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCCCOCCOc1cc(-c2nc(C(=O)OCC)co2)ccn1
InChIInChI=1S/C16H20N2O5/c1-3-7-20-8-9-22-14-10-12(5-6-17-14)15-18-13(11-23-15)16(19)21-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyMEAFECSUHWZEIT-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.72
Rot. Bonds9

About ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate

ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate (PubChem CID 90431118) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate
PubChem CID90431118
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate
SMILESCCCOCCOc1cc(-c2nc(C(=O)OCC)co2)ccn1
InChIInChI=1S/C16H20N2O5/c1-3-7-20-8-9-22-14-10-12(5-6-17-14)15-18-13(11-23-15)16(19)21-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyMEAFECSUHWZEIT-UHFFFAOYSA-N
XLogP2.72
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-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 ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate (CID 90431118) is ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate is CCCOCCOc1cc(-c2nc(C(=O)OCC)co2)ccn1.
What is the InChIKey of ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate?
The InChIKey is MEAFECSUHWZEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-7-20-8-9-22-14-10-12(5-6-17-14)15-18-13(11-23-15)16(19)21-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-propoxyethoxy)-4-pyridinyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90431118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).