2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol

C11H19N3O3 — CID 111487823

IUPAC2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1nnc(C2CCC2)o1
InChIInChI=1S/C11H19N3O3/c15-6-4-14(5-7-16)8-10-12-13-11(17-10)9-2-1-3-9/h9,15-16H,1-8H2
InChIKeyCIBRJCFHNIVXPI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.12
Rot. Bonds7

About 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol

2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 111487823) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID111487823
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1nnc(C2CCC2)o1
InChIInChI=1S/C11H19N3O3/c15-6-4-14(5-7-16)8-10-12-13-11(17-10)9-2-1-3-9/h9,15-16H,1-8H2
InChIKeyCIBRJCFHNIVXPI-UHFFFAOYSA-N
XLogP0.12
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol
CID 111107308
2-[N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]anilino]ethanol
CID 111544022
4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol
CID 111458836
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine
CID 71937266
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 43513428
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol
CID 111488398
N-[(5-cycloheptyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62588537
2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
CID 84687002
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(oxan-2-yl)ethanamine
CID 134710802
1-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84666403

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol (CID 111487823) is 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1nnc(C2CCC2)o1.
What is the InChIKey of 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is CIBRJCFHNIVXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-6-4-14(5-7-16)8-10-12-13-11(17-10)9-2-1-3-9/h9,15-16H,1-8H2.
What are the key properties of 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 241.29 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 111487823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).