3-(2,2-diethoxyethyl)-1,2-oxazole

C9H15NO3 — CID 134994287

IUPAC3-(2,2-diethoxyethyl)-1,2-oxazole
SMILESCCOC(Cc1ccon1)OCC
InChIInChI=1S/C9H15NO3/c1-3-11-9(12-4-2)7-8-5-6-13-10-8/h5-6,9H,3-4,7H2,1-2H3
InChIKeyHZRLHCMXZBIHPE-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.62
Rot. Bonds6

About 3-(2,2-diethoxyethyl)-1,2-oxazole

3-(2,2-diethoxyethyl)-1,2-oxazole (PubChem CID 134994287) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(2,2-diethoxyethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,2-diethoxyethyl)-1,2-oxazole
PubChem CID134994287
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(2,2-diethoxyethyl)-1,2-oxazole
SMILESCCOC(Cc1ccon1)OCC
InChIInChI=1S/C9H15NO3/c1-3-11-9(12-4-2)7-8-5-6-13-10-8/h5-6,9H,3-4,7H2,1-2H3
InChIKeyHZRLHCMXZBIHPE-UHFFFAOYSA-N
XLogP1.62
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethoxyethyl)-1,2-oxazole?
The IUPAC name of 3-(2,2-diethoxyethyl)-1,2-oxazole (CID 134994287) is 3-(2,2-diethoxyethyl)-1,2-oxazole.
What is the SMILES notation for 3-(2,2-diethoxyethyl)-1,2-oxazole?
The canonical SMILES for 3-(2,2-diethoxyethyl)-1,2-oxazole is CCOC(Cc1ccon1)OCC.
What is the InChIKey of 3-(2,2-diethoxyethyl)-1,2-oxazole?
The InChIKey is HZRLHCMXZBIHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-11-9(12-4-2)7-8-5-6-13-10-8/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 3-(2,2-diethoxyethyl)-1,2-oxazole?
3-(2,2-diethoxyethyl)-1,2-oxazole has a molecular weight of 185.22 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethoxyethyl)-1,2-oxazole is sourced from PubChem (CID 134994287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).