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

C7H13NO2 — CID 89364584

IUPAC2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCCOCC1=NC(C)CO1
InChIInChI=1S/C7H13NO2/c1-3-9-5-7-8-6(2)4-10-7/h6H,3-5H2,1-2H3
InChIKeyIRLPUCKTRCQZQM-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.84
Rot. Bonds3

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

2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 89364584) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID89364584
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCCOCC1=NC(C)CO1
InChIInChI=1S/C7H13NO2/c1-3-9-5-7-8-6(2)4-10-7/h6H,3-5H2,1-2H3
InChIKeyIRLPUCKTRCQZQM-UHFFFAOYSA-N
XLogP0.84
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole (CID 89364584) is 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole is CCOCC1=NC(C)CO1.
What is the InChIKey of 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IRLPUCKTRCQZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-9-5-7-8-6(2)4-10-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole?
2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 143.19 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 89364584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).