1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine

C13H23N3O2 — CID 65403537

IUPAC1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
SMILESCCC1CCC(c2noc(CC(N)COC)n2)C1
InChIInChI=1S/C13H23N3O2/c1-3-9-4-5-10(6-9)13-15-12(18-16-13)7-11(14)8-17-2/h9-11H,3-8,14H2,1-2H3
InChIKeyWNEMNBCVWHYBLH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.88
Rot. Bonds6

About 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine

1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine (PubChem CID 65403537) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
PubChem CID65403537
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
SMILESCCC1CCC(c2noc(CC(N)COC)n2)C1
InChIInChI=1S/C13H23N3O2/c1-3-9-4-5-10(6-9)13-15-12(18-16-13)7-11(14)8-17-2/h9-11H,3-8,14H2,1-2H3
InChIKeyWNEMNBCVWHYBLH-UHFFFAOYSA-N
XLogP1.88
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65404122
1-cyclopropyl-2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65414668
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65414274
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81085874
(1S)-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900170
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
N-[[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65415303
3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 65403682
4-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192880
1-amino-3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66000793
1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65414269

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine?
The IUPAC name of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine (CID 65403537) is 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine.
What is the SMILES notation for 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine?
The canonical SMILES for 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine is CCC1CCC(c2noc(CC(N)COC)n2)C1.
What is the InChIKey of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine?
The InChIKey is WNEMNBCVWHYBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-9-4-5-10(6-9)13-15-12(18-16-13)7-11(14)8-17-2/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine?
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine is sourced from PubChem (CID 65403537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).