2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol

C7H14N2O2 — CID 90935186

IUPAC2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol
SMILESCCC1=NOC(C)N1CCO
InChIInChI=1S/C7H14N2O2/c1-3-7-8-11-6(2)9(7)4-5-10/h6,10H,3-5H2,1-2H3
InChIKeyXSXUJPVSSZZUCR-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.38
Rot. Bonds3

About 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol

2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol (PubChem CID 90935186) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol
PubChem CID90935186
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol
SMILESCCC1=NOC(C)N1CCO
InChIInChI=1S/C7H14N2O2/c1-3-7-8-11-6(2)9(7)4-5-10/h6,10H,3-5H2,1-2H3
InChIKeyXSXUJPVSSZZUCR-UHFFFAOYSA-N
XLogP0.38
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Ethyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-ol
CID 21813448
3-Ethyl-4-methyl-5,6-dihydro-1,2,4-oxadiazine
CID 144437960
3-ethyl-4,5-dimethyl-5H-1,2,4-oxadiazole
CID 146490079
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]propanimidamide
CID 60960768

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol?
The IUPAC name of 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol (CID 90935186) is 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol is CCC1=NOC(C)N1CCO.
What is the InChIKey of 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol?
The InChIKey is XSXUJPVSSZZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-7-8-11-6(2)9(7)4-5-10/h6,10H,3-5H2,1-2H3.
What are the key properties of 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol?
2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol has a molecular weight of 158.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methyl-5H-1,2,4-oxadiazol-4-yl)ethanol is sourced from PubChem (CID 90935186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).