1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine

C14H25N3O2 — CID 116733127

IUPAC1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCOC(CC)c1noc(CC(N)C2CCCC2)n1
InChIInChI=1S/C14H25N3O2/c1-3-12(18-4-2)14-16-13(19-17-14)9-11(15)10-7-5-6-8-10/h10-12H,3-9,15H2,1-2H3
InChIKeyLHXLXOJCAPXHJM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.62
Rot. Bonds7

About 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 116733127) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID116733127
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCOC(CC)c1noc(CC(N)C2CCCC2)n1
InChIInChI=1S/C14H25N3O2/c1-3-12(18-4-2)14-16-13(19-17-14)9-11(15)10-7-5-6-8-10/h10-12H,3-9,15H2,1-2H3
InChIKeyLHXLXOJCAPXHJM-UHFFFAOYSA-N
XLogP2.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116702101
1-cyclopropyl-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116704058
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106526944
[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116702128
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116702159
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]-3-methylbutanoic acid
CID 116704790
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
2-[[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116702297
1-cyclopentyl-2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116781217
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106527029
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116732531

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 116733127) is 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCOC(CC)c1noc(CC(N)C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is LHXLXOJCAPXHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-12(18-4-2)14-16-13(19-17-14)9-11(15)10-7-5-6-8-10/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 116733127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).