1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol

C11H20N2O3 — CID 116780621

IUPAC1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCOC(CC)(CC)c1noc(C(C)O)n1
InChIInChI=1S/C11H20N2O3/c1-5-11(6-2,15-7-3)10-12-9(8(4)14)16-13-10/h8,14H,5-7H2,1-4H3
InChIKeyQKCVHNVOXZVMFN-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.17
Rot. Bonds6

About 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol

1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 116780621) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID116780621
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCOC(CC)(CC)c1noc(C(C)O)n1
InChIInChI=1S/C11H20N2O3/c1-5-11(6-2,15-7-3)10-12-9(8(4)14)16-13-10/h8,14H,5-7H2,1-4H3
InChIKeyQKCVHNVOXZVMFN-UHFFFAOYSA-N
XLogP2.17
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 116740991
3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778214
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116740982
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 116740930
1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 116741023
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741092
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116740555
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116740959
1-cyclopropyl-N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 116740888
4-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116740998
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 116781080
2-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436718

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 116780621) is 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol is CCOC(CC)(CC)c1noc(C(C)O)n1.
What is the InChIKey of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QKCVHNVOXZVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-11(6-2,15-7-3)10-12-9(8(4)14)16-13-10/h8,14H,5-7H2,1-4H3.
What are the key properties of 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 228.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 116780621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).