5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

C10H15F3N2O3 — CID 79965038

IUPAC5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H15F3N2O3/c1-3-16-9(17-4-2)8-14-7(15-18-8)5-6-10(11,12)13/h9H,3-6H2,1-2H3
InChIKeyGOBYCIFTVLQFEO-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.64
Rot. Bonds7

About 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole

5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (PubChem CID 79965038) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
PubChem CID79965038
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C10H15F3N2O3/c1-3-16-9(17-4-2)8-14-7(15-18-8)5-6-10(11,12)13/h9H,3-6H2,1-2H3
InChIKeyGOBYCIFTVLQFEO-UHFFFAOYSA-N
XLogP2.64
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.64
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-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole (CID 79965038) is 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is CCOC(OCC)c1nc(CCC(F)(F)F)no1.
What is the InChIKey of 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
The InChIKey is GOBYCIFTVLQFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-3-16-9(17-4-2)8-14-7(15-18-8)5-6-10(11,12)13/h9H,3-6H2,1-2H3.
What are the key properties of 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole has a molecular weight of 268.23 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79965038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).