2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol

C4H7N3O2 — CID 82234828

IUPAC2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol
SMILESNC(CO)c1ncno1
InChIInChI=1S/C4H7N3O2/c5-3(1-8)4-6-2-7-9-4/h2-3,8H,1,5H2
InChIKeyMIDABTHQVGXTNN-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.94
Rot. Bonds2

About 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol

2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 82234828) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol
PubChem CID82234828
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol
SMILESNC(CO)c1ncno1
InChIInChI=1S/C4H7N3O2/c5-3(1-8)4-6-2-7-9-4/h2-3,8H,1,5H2
InChIKeyMIDABTHQVGXTNN-UHFFFAOYSA-N
XLogP-0.94
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 131081533
(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine
CID 28924821
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82418105
(1S,2S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82416346
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole
CID 162280781
2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
1-(1,2,4-oxadiazol-5-yl)propan-2-amine
CID 82234832
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63949235
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915947
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol (CID 82234828) is 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol is NC(CO)c1ncno1.
What is the InChIKey of 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is MIDABTHQVGXTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-3(1-8)4-6-2-7-9-4/h2-3,8H,1,5H2.
What are the key properties of 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol?
2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 129.12 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 82234828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).