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

C9H17N3O3 — CID 62022852

IUPAC2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCCc1noc(CN(CCO)CCO)n1
InChIInChI=1S/C9H17N3O3/c1-2-8-10-9(15-11-8)7-12(3-5-13)4-6-14/h13-14H,2-7H2,1H3
InChIKeyIBHBGAYJJMQCFO-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.58
Rot. Bonds7

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

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 62022852) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID62022852
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
SMILESCCc1noc(CN(CCO)CCO)n1
InChIInChI=1S/C9H17N3O3/c1-2-8-10-9(15-11-8)7-12(3-5-13)4-6-14/h13-14H,2-7H2,1H3
InChIKeyIBHBGAYJJMQCFO-UHFFFAOYSA-N
XLogP-0.58
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 102848575
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753093
2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 110929495
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60968468
N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
CID 71866216
N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
CID 107366992
5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
CID 161311247

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol (CID 62022852) is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol is CCc1noc(CN(CCO)CCO)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IBHBGAYJJMQCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-8-10-9(15-11-8)7-12(3-5-13)4-6-14/h13-14H,2-7H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol?
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 215.25 g/mol, XLogP of -0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62022852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).