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

C12H20N2O3 — CID 116732543

IUPAC2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCOC(CC)c1noc(C(C)C(=O)CC)n1
InChIInChI=1S/C12H20N2O3/c1-5-9(15)8(4)12-13-11(14-17-12)10(6-2)16-7-3/h8,10H,5-7H2,1-4H3
InChIKeyIEUZQEFUJZRDOK-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.64
Rot. Bonds7

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

2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one (PubChem CID 116732543) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one.

Molecular Properties

Compound Name2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
PubChem CID116732543
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCOC(CC)c1noc(C(C)C(=O)CC)n1
InChIInChI=1S/C12H20N2O3/c1-5-9(15)8(4)12-13-11(14-17-12)10(6-2)16-7-3/h8,10H,5-7H2,1-4H3
InChIKeyIEUZQEFUJZRDOK-UHFFFAOYSA-N
XLogP2.64
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 64533837
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 63718735
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733133
3-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluorobutan-2-one
CID 116732568
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733157
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116732531
6-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 116701890
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanoic acid
CID 116704790
3-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116732705
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 116733136
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116701976

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The IUPAC name of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one (CID 116732543) is 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one.
What is the SMILES notation for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The canonical SMILES for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one is CCOC(CC)c1noc(C(C)C(=O)CC)n1.
What is the InChIKey of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
The InChIKey is IEUZQEFUJZRDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-9(15)8(4)12-13-11(14-17-12)10(6-2)16-7-3/h8,10H,5-7H2,1-4H3.
What are the key properties of 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one?
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one has a molecular weight of 240.30 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one is sourced from PubChem (CID 116732543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).