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

C12H21N3O3 — CID 107837325

IUPAC3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCOC1(c2noc(C(O)CCN)n2)CCCC1
InChIInChI=1S/C12H21N3O3/c1-2-17-12(6-3-4-7-12)11-14-10(18-15-11)9(16)5-8-13/h9,16H,2-8,13H2,1H3
InChIKeyQMTOEVKTSBFOEY-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.26
Rot. Bonds6

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

3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 107837325) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID107837325
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCOC1(c2noc(C(O)CCN)n2)CCCC1
InChIInChI=1S/C12H21N3O3/c1-2-17-12(6-3-4-7-12)11-14-10(18-15-11)9(16)5-8-13/h9,16H,2-8,13H2,1H3
InChIKeyQMTOEVKTSBFOEY-UHFFFAOYSA-N
XLogP1.26
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506
3-amino-3-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116743355
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116741461
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116741965
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836886
(1S)-3-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836883
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116781197
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780755

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 107837325) is 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is CCOC1(c2noc(C(O)CCN)n2)CCCC1.
What is the InChIKey of 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is QMTOEVKTSBFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-17-12(6-3-4-7-12)11-14-10(18-15-11)9(16)5-8-13/h9,16H,2-8,13H2,1H3.
What are the key properties of 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 107837325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).