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

C7H12ClN3O2 — CID 106956828

IUPAC2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
SMILESCC(Cl)c1nnc(N(C)CCO)o1
InChIInChI=1S/C7H12ClN3O2/c1-5(8)6-9-10-7(13-6)11(2)3-4-12/h5,12H,3-4H2,1-2H3
InChIKeyFJFJPJVISOBRBX-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.80
Rot. Bonds4

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

2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol (PubChem CID 106956828) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
PubChem CID106956828
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
SMILESCC(Cl)c1nnc(N(C)CCO)o1
InChIInChI=1S/C7H12ClN3O2/c1-5(8)6-9-10-7(13-6)11(2)3-4-12/h5,12H,3-4H2,1-2H3
InChIKeyFJFJPJVISOBRBX-UHFFFAOYSA-N
XLogP0.80
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol (CID 106956828) is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol is CC(Cl)c1nnc(N(C)CCO)o1.
What is the InChIKey of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
The InChIKey is FJFJPJVISOBRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2/c1-5(8)6-9-10-7(13-6)11(2)3-4-12/h5,12H,3-4H2,1-2H3.
What are the key properties of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol?
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]ethanol has a molecular weight of 205.65 g/mol, XLogP of 0.80, 4 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]-methylamino]ethanol is sourced from PubChem (CID 106956828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).