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

C14H24N2O3 — CID 65403522

IUPAC5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(C2CCC(CC)C2)no1
InChIInChI=1S/C14H24N2O3/c1-4-10-7-8-11(9-10)12-15-13(19-16-12)14(17-5-2)18-6-3/h10-11,14H,4-9H2,1-3H3
InChIKeyFFSDPPOWQULPNC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.43
Rot. Bonds7

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

5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole (PubChem CID 65403522) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
PubChem CID65403522
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(C2CCC(CC)C2)no1
InChIInChI=1S/C14H24N2O3/c1-4-10-7-8-11(9-10)12-15-13(19-16-12)14(17-5-2)18-6-3/h10-11,14H,4-9H2,1-3H3
InChIKeyFFSDPPOWQULPNC-UHFFFAOYSA-N
XLogP3.43
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.43
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

(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900170
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65414302
5-(diethoxymethyl)-3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 65390284
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65414702
cyclohexyl-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65415106
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500564
[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 65413074
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
5-ethenyl-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413474

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole (CID 65403522) is 5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole is CCOC(OCC)c1nc(C2CCC(CC)C2)no1.
What is the InChIKey of 5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole?
The InChIKey is FFSDPPOWQULPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-10-7-8-11(9-10)12-15-13(19-16-12)14(17-5-2)18-6-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole has a molecular weight of 268.36 g/mol, XLogP of 3.43, 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-ethylcyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65403522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).