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

C7H12ClN3O2 — CID 106956829

IUPAC2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1nnc(CCCl)o1
InChIInChI=1S/C7H12ClN3O2/c1-11(4-5-12)7-10-9-6(13-7)2-3-8/h12H,2-5H2,1H3
InChIKeyXSFQNKASFWPTLM-UHFFFAOYSA-N
MW205.64 g/mol
LogP0.28
Rot. Bonds5

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

2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol (PubChem CID 106956829) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
PubChem CID106956829
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1nnc(CCCl)o1
InChIInChI=1S/C7H12ClN3O2/c1-11(4-5-12)7-10-9-6(13-7)2-3-8/h12H,2-5H2,1H3
InChIKeyXSFQNKASFWPTLM-UHFFFAOYSA-N
XLogP0.28
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 50.28
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-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol (CID 106956829) is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol is CN(CCO)c1nnc(CCCl)o1.
What is the InChIKey of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The InChIKey is XSFQNKASFWPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2/c1-11(4-5-12)7-10-9-6(13-7)2-3-8/h12H,2-5H2,1H3.
What are the key properties of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol has a molecular weight of 205.64 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol is sourced from PubChem (CID 106956829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).