3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

C12H21N3O2 — CID 65403682

IUPAC3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCCC1CCC(c2noc(NCCOC)n2)C1
InChIInChI=1S/C12H21N3O2/c1-3-9-4-5-10(8-9)11-14-12(17-15-11)13-6-7-16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyDVFQTLSIIKFTIV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.42
Rot. Bonds6

About 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 65403682) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID65403682
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCCC1CCC(c2noc(NCCOC)n2)C1
InChIInChI=1S/C12H21N3O2/c1-3-9-4-5-10(8-9)11-14-12(17-15-11)13-6-7-16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyDVFQTLSIIKFTIV-UHFFFAOYSA-N
XLogP2.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.42
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

1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 65403537
5-(diethoxymethyl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65403522
5-ethenyl-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413474
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827051
(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900170
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65415303
[1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 113312330
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine
CID 64985459
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 63717997
1-amino-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66000793

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 65403682) is 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is CCC1CCC(c2noc(NCCOC)n2)C1.
What is the InChIKey of 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is DVFQTLSIIKFTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-9-4-5-10(8-9)11-14-12(17-15-11)13-6-7-16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 239.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65403682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).