[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine

C15H20N4O2 — CID 116741445

IUPAC[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESCCOC1(c2noc(-c3ccnc(CN)c3)n2)CCCC1
InChIInChI=1S/C15H20N4O2/c1-2-20-15(6-3-4-7-15)14-18-13(21-19-14)11-5-8-17-12(9-11)10-16/h5,8-9H,2-4,6-7,10,16H2,1H3
InChIKeyXAFUUDIEIWYCMK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds5

About [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine

[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (PubChem CID 116741445) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
PubChem CID116741445
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESCCOC1(c2noc(-c3ccnc(CN)c3)n2)CCCC1
InChIInChI=1S/C15H20N4O2/c1-2-20-15(6-3-4-7-15)14-18-13(21-19-14)11-5-8-17-12(9-11)10-16/h5,8-9H,2-4,6-7,10,16H2,1H3
InChIKeyXAFUUDIEIWYCMK-UHFFFAOYSA-N
XLogP2.40
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (CID 116741445) is [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is CCOC1(c2noc(-c3ccnc(CN)c3)n2)CCCC1.
What is the InChIKey of [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The InChIKey is XAFUUDIEIWYCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-20-15(6-3-4-7-15)14-18-13(21-19-14)11-5-8-17-12(9-11)10-16/h5,8-9H,2-4,6-7,10,16H2,1H3.
What are the key properties of [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 116741445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).