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

C5H9N3O2 — CID 55288403

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESCc1noc(NCCO)n1
InChIInChI=1S/C5H9N3O2/c1-4-7-5(10-8-4)6-2-3-9/h9H,2-3H2,1H3,(H,6,7,8)
InChIKeyZIXKIBMOKQIVOD-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.22
Rot. Bonds3

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

2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol (PubChem CID 55288403) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol
PubChem CID55288403
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESCc1noc(NCCO)n1
InChIInChI=1S/C5H9N3O2/c1-4-7-5(10-8-4)6-2-3-9/h9H,2-3H2,1H3,(H,6,7,8)
InChIKeyZIXKIBMOKQIVOD-UHFFFAOYSA-N
XLogP-0.22
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol (CID 55288403) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol is Cc1noc(NCCO)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The InChIKey is ZIXKIBMOKQIVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-4-7-5(10-8-4)6-2-3-9/h9H,2-3H2,1H3,(H,6,7,8).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol has a molecular weight of 143.15 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 55288403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).