5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole

C10H19NO4 — CID 542741

IUPAC5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole
SMILESCCOC1=NOC(C(OCC)OCC)C1
InChIInChI=1S/C10H19NO4/c1-4-12-9-7-8(15-11-9)10(13-5-2)14-6-3/h8,10H,4-7H2,1-3H3
InChIKeySZZDZILLLOPGJD-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.52
Rot. Bonds6

About 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole

5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole (PubChem CID 542741) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole
PubChem CID542741
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole
SMILESCCOC1=NOC(C(OCC)OCC)C1
InChIInChI=1S/C10H19NO4/c1-4-12-9-7-8(15-11-9)10(13-5-2)14-6-3/h8,10H,4-7H2,1-3H3
InChIKeySZZDZILLLOPGJD-UHFFFAOYSA-N
XLogP1.52
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole (CID 542741) is 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole is CCOC1=NOC(C(OCC)OCC)C1.
What is the InChIKey of 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole?
The InChIKey is SZZDZILLLOPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-12-9-7-8(15-11-9)10(13-5-2)14-6-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole?
5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole has a molecular weight of 217.26 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-ethoxy-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 542741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).