2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol

C8H14ClN3O2 — CID 106956825

IUPAC2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nnc(C(C)Cl)o1
InChIInChI=1S/C8H14ClN3O2/c1-3-12(4-5-13)8-11-10-7(14-8)6(2)9/h6,13H,3-5H2,1-2H3
InChIKeyRQWAZFYOZKUATI-UHFFFAOYSA-N
MW219.67 g/mol
LogP1.19
Rot. Bonds5

About 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol

2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol (PubChem CID 106956825) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
PubChem CID106956825
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nnc(C(C)Cl)o1
InChIInChI=1S/C8H14ClN3O2/c1-3-12(4-5-13)8-11-10-7(14-8)6(2)9/h6,13H,3-5H2,1-2H3
InChIKeyRQWAZFYOZKUATI-UHFFFAOYSA-N
XLogP1.19
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol (CID 106956825) is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol is CCN(CCO)c1nnc(C(C)Cl)o1.
What is the InChIKey of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The InChIKey is RQWAZFYOZKUATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2/c1-3-12(4-5-13)8-11-10-7(14-8)6(2)9/h6,13H,3-5H2,1-2H3.
What are the key properties of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol has a molecular weight of 219.67 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol is sourced from PubChem (CID 106956825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).