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

C4H7N3O2 — CID 102993788

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

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

2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 102993788) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol
PubChem CID102993788
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol
SMILESNCC(O)c1ncno1
InChIInChI=1S/C4H7N3O2/c5-1-3(8)4-6-2-7-9-4/h2-3,8H,1,5H2
InChIKeyHJDAUOOVAMHLLF-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol (CID 102993788) is 2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol is NCC(O)c1ncno1.
What is the InChIKey of 2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is HJDAUOOVAMHLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-1-3(8)4-6-2-7-9-4/h2-3,8H,1,5H2.
What are the key properties of 2-amino-1-(1,2,4-oxadiazol-5-yl)ethanol?
2-amino-1-(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-1-(1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 102993788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).