2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole

C7H13NO3 — CID 154393650

IUPAC2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole
SMILESCCOCC1=NC(OC)CO1
InChIInChI=1S/C7H13NO3/c1-3-10-4-7-8-6(9-2)5-11-7/h6H,3-5H2,1-2H3
InChIKeyDKMXWPKKHUCWJG-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.42
Rot. Bonds4

About 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole

2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole (PubChem CID 154393650) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole
PubChem CID154393650
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole
SMILESCCOCC1=NC(OC)CO1
InChIInChI=1S/C7H13NO3/c1-3-10-4-7-8-6(9-2)5-11-7/h6H,3-5H2,1-2H3
InChIKeyDKMXWPKKHUCWJG-UHFFFAOYSA-N
XLogP0.42
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole 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-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole (CID 154393650) is 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole is CCOCC1=NC(OC)CO1.
What is the InChIKey of 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole?
The InChIKey is DKMXWPKKHUCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-10-4-7-8-6(9-2)5-11-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole?
2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole has a molecular weight of 159.18 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-methoxy-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154393650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).