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

C11H20ClN3O2 — CID 106957256

IUPAC2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nnc(CCCl)o1
InChIInChI=1S/C11H20ClN3O2/c1-3-9(4-2)15(7-8-16)11-14-13-10(17-11)5-6-12/h9,16H,3-8H2,1-2H3
InChIKeyDAQJUICLRINTCT-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.84
Rot. Bonds8

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

2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol (PubChem CID 106957256) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
PubChem CID106957256
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nnc(CCCl)o1
InChIInChI=1S/C11H20ClN3O2/c1-3-9(4-2)15(7-8-16)11-14-13-10(17-11)5-6-12/h9,16H,3-8H2,1-2H3
InChIKeyDAQJUICLRINTCT-UHFFFAOYSA-N
XLogP1.84
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.84
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]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol (CID 106957256) is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nnc(CCCl)o1.
What is the InChIKey of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol?
The InChIKey is DAQJUICLRINTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2/c1-3-9(4-2)15(7-8-16)11-14-13-10(17-11)5-6-12/h9,16H,3-8H2,1-2H3.
What are the key properties of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol?
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol has a molecular weight of 261.75 g/mol, XLogP of 1.84, 8 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]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 106957256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).