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

C9H16ClN3O2 — CID 106957048

IUPAC2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nnc(CCCl)o1
InChIInChI=1S/C9H16ClN3O2/c1-2-5-13(6-7-14)9-12-11-8(15-9)3-4-10/h14H,2-7H2,1H3
InChIKeyAOKCENZUTQTPCT-UHFFFAOYSA-N
MW233.70 g/mol
LogP1.06
Rot. Bonds7

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

2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol (PubChem CID 106957048) has the molecular formula C9H16ClN3O2 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol
PubChem CID106957048
Molecular FormulaC9H16ClN3O2
Molecular Weight233.70 g/mol
Exact Mass233.09
IUPAC Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nnc(CCCl)o1
InChIInChI=1S/C9H16ClN3O2/c1-2-5-13(6-7-14)9-12-11-8(15-9)3-4-10/h14H,2-7H2,1H3
InChIKeyAOKCENZUTQTPCT-UHFFFAOYSA-N
XLogP1.06
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 51.06
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]-propylamino]ethanol?
The IUPAC name of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol (CID 106957048) is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol is CCCN(CCO)c1nnc(CCCl)o1.
What is the InChIKey of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol?
The InChIKey is AOKCENZUTQTPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O2/c1-2-5-13(6-7-14)9-12-11-8(15-9)3-4-10/h14H,2-7H2,1H3.
What are the key properties of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol?
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-propylamino]ethanol has a molecular weight of 233.70 g/mol, XLogP of 1.06, 7 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]-propylamino]ethanol is sourced from PubChem (CID 106957048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).