2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C12H21N3O2 — CID 116702159

IUPAC2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCOC(CC)c1noc(C2CCCC2N)n1
InChIInChI=1S/C12H21N3O2/c1-3-10(16-4-2)11-14-12(17-15-11)8-6-5-7-9(8)13/h8-10H,3-7,13H2,1-2H3
InChIKeyQUMNMYGWZGRTLY-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.15
Rot. Bonds5

About 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 116702159) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID116702159
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCCOC(CC)c1noc(C2CCCC2N)n1
InChIInChI=1S/C12H21N3O2/c1-3-10(16-4-2)11-14-12(17-15-11)8-6-5-7-9(8)13/h8-10H,3-7,13H2,1-2H3
InChIKeyQUMNMYGWZGRTLY-UHFFFAOYSA-N
XLogP2.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116702128
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116732801
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116701893
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 116733139
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(1-ethoxypropyl)-1,2,4-oxadiazole
CID 116702093
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 116732781
1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116733127
2-[5-(2-aminocyclopentyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827152
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781472
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63892405
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116741436
3-(1-ethoxybutyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116702223

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 116702159) is 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CCOC(CC)c1noc(C2CCCC2N)n1.
What is the InChIKey of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is QUMNMYGWZGRTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-10(16-4-2)11-14-12(17-15-11)8-6-5-7-9(8)13/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 116702159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).