2-(2-hydroxyethylamino)ethanol;1,3-oxazole

C7H14N2O3 — CID 159757400

IUPAC2-(2-hydroxyethylamino)ethanol;1,3-oxazole
SMILESOCCNCCO.c1cocn1
InChIInChI=1S/C4H11NO2.C3H3NO/c6-3-1-5-2-4-7;1-2-5-3-4-1/h5-7H,1-4H2;1-3H
InChIKeyNELFFVIMDJEPRN-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.76
Rot. Bonds4

About 2-(2-hydroxyethylamino)ethanol;1,3-oxazole

2-(2-hydroxyethylamino)ethanol;1,3-oxazole (PubChem CID 159757400) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;1,3-oxazole.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;1,3-oxazole
PubChem CID159757400
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(2-hydroxyethylamino)ethanol;1,3-oxazole
SMILESOCCNCCO.c1cocn1
InChIInChI=1S/C4H11NO2.C3H3NO/c6-3-1-5-2-4-7;1-2-5-3-4-1/h5-7H,1-4H2;1-3H
InChIKeyNELFFVIMDJEPRN-UHFFFAOYSA-N
XLogP-0.76
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-hydroxyethylamino)ethanol;1,3-oxazole?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;1,3-oxazole (CID 159757400) is 2-(2-hydroxyethylamino)ethanol;1,3-oxazole.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;1,3-oxazole?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;1,3-oxazole is OCCNCCO.c1cocn1.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;1,3-oxazole?
The InChIKey is NELFFVIMDJEPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H3NO/c6-3-1-5-2-4-7;1-2-5-3-4-1/h5-7H,1-4H2;1-3H.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;1,3-oxazole?
2-(2-hydroxyethylamino)ethanol;1,3-oxazole has a molecular weight of 174.20 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;1,3-oxazole is sourced from PubChem (CID 159757400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).