4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine

C11H17N3O2 — CID 79216885

IUPAC4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESCCOC(C)c1noc(C2C=CC(N)C2)n1
InChIInChI=1S/C11H17N3O2/c1-3-15-7(2)10-13-11(16-14-10)8-4-5-9(12)6-8/h4-5,7-9H,3,6,12H2,1-2H3
InChIKeyFRJDJDAMORVFBC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.54
Rot. Bonds4

About 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine

4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (PubChem CID 79216885) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
PubChem CID79216885
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
SMILESCCOC(C)c1noc(C2C=CC(N)C2)n1
InChIInChI=1S/C11H17N3O2/c1-3-15-7(2)10-13-11(16-14-10)8-4-5-9(12)6-8/h4-5,7-9H,3,6,12H2,1-2H3
InChIKeyFRJDJDAMORVFBC-UHFFFAOYSA-N
XLogP1.54
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351
3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 64539424
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83200944
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201404
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252493
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 79215930
5-(4-aminocyclopent-2-en-1-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631944
4-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216806
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837103
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64538990
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79215857

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine (CID 79216885) is 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is CCOC(C)c1noc(C2C=CC(N)C2)n1.
What is the InChIKey of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
The InChIKey is FRJDJDAMORVFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-15-7(2)10-13-11(16-14-10)8-4-5-9(12)6-8/h4-5,7-9H,3,6,12H2,1-2H3.
What are the key properties of 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine?
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine has a molecular weight of 223.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79216885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).