4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one

C11H18N2O3 — CID 116732531

IUPAC4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
SMILESCCOC(CC)c1noc(CCC(C)=O)n1
InChIInChI=1S/C11H18N2O3/c1-4-9(15-5-2)11-12-10(16-13-11)7-6-8(3)14/h9H,4-7H2,1-3H3
InChIKeyPYFZFHAHGQHHGA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.08
Rot. Bonds7

About 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one

4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one (PubChem CID 116732531) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one.

Molecular Properties

Compound Name4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
PubChem CID116732531
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
SMILESCCOC(CC)c1noc(CCC(C)=O)n1
InChIInChI=1S/C11H18N2O3/c1-4-9(15-5-2)11-12-10(16-13-11)7-6-8(3)14/h9H,4-7H2,1-3H3
InChIKeyPYFZFHAHGQHHGA-UHFFFAOYSA-N
XLogP2.08
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116702101
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanoic acid
CID 116704790
1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 116704774
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 116732543
N-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116702156
[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol
CID 116732822
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106526944
2-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116702358
1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116733127
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65141558
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one?
The IUPAC name of 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one (CID 116732531) is 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one.
What is the SMILES notation for 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one?
The canonical SMILES for 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one is CCOC(CC)c1noc(CCC(C)=O)n1.
What is the InChIKey of 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one?
The InChIKey is PYFZFHAHGQHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-9(15-5-2)11-12-10(16-13-11)7-6-8(3)14/h9H,4-7H2,1-3H3.
What are the key properties of 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one?
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one is sourced from PubChem (CID 116732531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).