1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone

C9H14N4O2 — CID 86261795

IUPAC1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2nc(CCN)no2)C1
InChIInChI=1S/C9H14N4O2/c1-6(14)13-4-7(5-13)9-11-8(2-3-10)12-15-9/h7H,2-5,10H2,1H3
InChIKeyFXSJEHWPTUNPGR-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.48
Rot. Bonds3

About 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone

1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone (PubChem CID 86261795) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
PubChem CID86261795
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2nc(CCN)no2)C1
InChIInChI=1S/C9H14N4O2/c1-6(14)13-4-7(5-13)9-11-8(2-3-10)12-15-9/h7H,2-5,10H2,1H3
InChIKeyFXSJEHWPTUNPGR-UHFFFAOYSA-N
XLogP-0.48
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone (CID 86261795) is 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone is CC(=O)N1CC(c2nc(CCN)no2)C1.
What is the InChIKey of 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The InChIKey is FXSJEHWPTUNPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(14)13-4-7(5-13)9-11-8(2-3-10)12-15-9/h7H,2-5,10H2,1H3.
What are the key properties of 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone has a molecular weight of 210.24 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 86261795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).