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

C9H17N3O4 — CID 102926729

IUPAC2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOCCOCCc1noc(C(O)CN)n1
InChIInChI=1S/C9H17N3O4/c1-14-4-5-15-3-2-8-11-9(16-12-8)7(13)6-10/h7,13H,2-6,10H2,1H3
InChIKeyRAAIVNRLSWWZLL-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.73
Rot. Bonds8

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

2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 102926729) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID102926729
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOCCOCCc1noc(C(O)CN)n1
InChIInChI=1S/C9H17N3O4/c1-14-4-5-15-3-2-8-11-9(16-12-8)7(13)6-10/h7,13H,2-6,10H2,1H3
InChIKeyRAAIVNRLSWWZLL-UHFFFAOYSA-N
XLogP-0.73
TPSA103.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 102926729) is 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is COCCOCCc1noc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is RAAIVNRLSWWZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-14-4-5-15-3-2-8-11-9(16-12-8)7(13)6-10/h7,13H,2-6,10H2,1H3.
What are the key properties of 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 231.25 g/mol, XLogP of -0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 102926729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).