3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

C14H25N3O2 — CID 116740626

IUPAC3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(CC)c1noc(C2(CC)CCNC2)n1
InChIInChI=1S/C14H25N3O2/c1-5-13(4,18-7-3)11-16-12(19-17-11)14(6-2)8-9-15-10-14/h15H,5-10H2,1-4H3
InChIKeyJZRIYZODOSMDIP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds6

About 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116740626) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID116740626
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOC(C)(CC)c1noc(C2(CC)CCNC2)n1
InChIInChI=1S/C14H25N3O2/c1-5-13(4,18-7-3)11-16-12(19-17-11)14(6-2)8-9-15-10-14/h15H,5-10H2,1-4H3
InChIKeyJZRIYZODOSMDIP-UHFFFAOYSA-N
XLogP2.37
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethoxypentan-3-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116740899
3-(2-ethoxypropan-2-yl)-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116704565
5-(3-ethylpiperidin-3-yl)-3-(3-methoxypentan-3-yl)-1,2,4-oxadiazole
CID 116741140
ethyl 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 116743986
3-(3-ethoxypentan-3-yl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116740897
3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116741864
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116740641
3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126026
5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 63145108
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 116740540
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 116740626) is 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCOC(C)(CC)c1noc(C2(CC)CCNC2)n1.
What is the InChIKey of 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is JZRIYZODOSMDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-13(4,18-7-3)11-16-12(19-17-11)14(6-2)8-9-15-10-14/h15H,5-10H2,1-4H3.
What are the key properties of 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 267.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxybutan-2-yl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116740626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).