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

C13H21N3O2 — CID 103971782

IUPAC2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCCC1(c2nc(C3CNCCO3)no2)CCCC1
InChIInChI=1S/C13H21N3O2/c1-2-13(5-3-4-6-13)12-15-11(16-18-12)10-9-14-7-8-17-10/h10,14H,2-9H2,1H3
InChIKeyQJWHSNMLCLFTJH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.95
Rot. Bonds3

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

2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971782) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971782
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCCC1(c2nc(C3CNCCO3)no2)CCCC1
InChIInChI=1S/C13H21N3O2/c1-2-13(5-3-4-6-13)12-15-11(16-18-12)10-9-14-7-8-17-10/h10,14H,2-9H2,1H3
InChIKeyQJWHSNMLCLFTJH-UHFFFAOYSA-N
XLogP1.95
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971782) is 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine is CCC1(c2nc(C3CNCCO3)no2)CCCC1.
What is the InChIKey of 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is QJWHSNMLCLFTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-13(5-3-4-6-13)12-15-11(16-18-12)10-9-14-7-8-17-10/h10,14H,2-9H2,1H3.
What are the key properties of 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 251.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).