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

C15H26N2O3 — CID 65390284

IUPAC5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C15H26N2O3/c1-5-18-14(19-6-2)13-16-12(17-20-13)11-7-9-15(3,4)10-8-11/h11,14H,5-10H2,1-4H3
InChIKeyZCEYBDDFUAUCSV-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.83
Rot. Bonds6

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

5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 65390284) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
PubChem CID65390284
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C15H26N2O3/c1-5-18-14(19-6-2)13-16-12(17-20-13)11-7-9-15(3,4)10-8-11/h11,14H,5-10H2,1-4H3
InChIKeyZCEYBDDFUAUCSV-UHFFFAOYSA-N
XLogP3.83
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.83
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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Related Compounds

5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65403522
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900158
(1S,2S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900157
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
5-(diethoxymethyl)-3-(thian-2-yl)-1,2,4-oxadiazole
CID 80638291
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65392070
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65390357
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389298
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 79974799
5-[chloro(phenyl)methyl]-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 65389372
3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65391274

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole (CID 65390284) is 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole is CCOC(OCC)c1nc(C2CCC(C)(C)CC2)no1.
What is the InChIKey of 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is ZCEYBDDFUAUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-18-14(19-6-2)13-16-12(17-20-13)11-7-9-15(3,4)10-8-11/h11,14H,5-10H2,1-4H3.
What are the key properties of 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 282.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65390284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).