1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C12H21N3O2 — CID 116741506

IUPAC1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCOC1(c2noc(C(N)CC)n2)CCCC1
InChIInChI=1S/C12H21N3O2/c1-3-9(13)10-14-11(15-17-10)12(16-4-2)7-5-6-8-12/h9H,3-8,13H2,1-2H3
InChIKeyBHWUSPBONSZTRE-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.29
Rot. Bonds5

About 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 116741506) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID116741506
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCOC1(c2noc(C(N)CC)n2)CCCC1
InChIInChI=1S/C12H21N3O2/c1-3-9(13)10-14-11(15-17-10)12(16-4-2)7-5-6-8-12/h9H,3-8,13H2,1-2H3
InChIKeyBHWUSPBONSZTRE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 116741506) is 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCOC1(c2noc(C(N)CC)n2)CCCC1.
What is the InChIKey of 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is BHWUSPBONSZTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-9(13)10-14-11(15-17-10)12(16-4-2)7-5-6-8-12/h9H,3-8,13H2,1-2H3.
What are the key properties of 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 116741506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).