2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one

C11H18N2O3 — CID 64533837

IUPAC2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCOC(C)c1noc(C(C)C(=O)CC)n1
InChIInChI=1S/C11H18N2O3/c1-5-9(14)7(3)11-12-10(13-16-11)8(4)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyBWLXGFVNHARPAW-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.25
Rot. Bonds6

About 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one

2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one (PubChem CID 64533837) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one.

Molecular Properties

Compound Name2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
PubChem CID64533837
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCOC(C)c1noc(C(C)C(=O)CC)n1
InChIInChI=1S/C11H18N2O3/c1-5-9(14)7(3)11-12-10(13-16-11)8(4)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyBWLXGFVNHARPAW-UHFFFAOYSA-N
XLogP2.25
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The IUPAC name of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one (CID 64533837) is 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one.
What is the SMILES notation for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The canonical SMILES for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one is CCOC(C)c1noc(C(C)C(=O)CC)n1.
What is the InChIKey of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The InChIKey is BWLXGFVNHARPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-9(14)7(3)11-12-10(13-16-11)8(4)15-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one has a molecular weight of 226.28 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one is sourced from PubChem (CID 64533837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).