3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

C11H19N3O2 — CID 106814813

IUPAC3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(C2CCNC2C)n1
InChIInChI=1S/C11H19N3O2/c1-3-15-7-5-10-13-11(16-14-10)9-4-6-12-8(9)2/h8-9,12H,3-7H2,1-2H3
InChIKeyCCEJLMZCEUVYQK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.11
Rot. Bonds5

About 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 106814813) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID106814813
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCOCCc1noc(C2CCNC2C)n1
InChIInChI=1S/C11H19N3O2/c1-3-15-7-5-10-13-11(16-14-10)9-4-6-12-8(9)2/h8-9,12H,3-7H2,1-2H3
InChIKeyCCEJLMZCEUVYQK-UHFFFAOYSA-N
XLogP1.11
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methylpyrrolidin-3-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 79369012
N,N-diethyl-2-[5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79369553
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N-ethyl-N-methyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116808318
3-[(2-methoxyphenyl)methyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79372354
3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371942
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 106815656
(5S)-5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106814669
3-[(4-fluorophenyl)sulfanylmethyl]-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79372368
3-cyclopropyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79369015
3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106814652
5-(2-methylpyrrolidin-3-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 79372126

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 106814813) is 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCOCCc1noc(C2CCNC2C)n1.
What is the InChIKey of 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is CCEJLMZCEUVYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-15-7-5-10-13-11(16-14-10)9-4-6-12-8(9)2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106814813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).