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

C10H18ClN3O2 — CID 106956990

IUPAC2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
SMILESCCCCN(CCO)c1nnc(CCCl)o1
InChIInChI=1S/C10H18ClN3O2/c1-2-3-6-14(7-8-15)10-13-12-9(16-10)4-5-11/h15H,2-8H2,1H3
InChIKeyPSJNYQGSAIJZKN-UHFFFAOYSA-N
MW247.73 g/mol
LogP1.45
Rot. Bonds8

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

2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol (PubChem CID 106956990) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
PubChem CID106956990
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
SMILESCCCCN(CCO)c1nnc(CCCl)o1
InChIInChI=1S/C10H18ClN3O2/c1-2-3-6-14(7-8-15)10-13-12-9(16-10)4-5-11/h15H,2-8H2,1H3
InChIKeyPSJNYQGSAIJZKN-UHFFFAOYSA-N
XLogP1.45
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.45
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-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol (CID 106956990) is 2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol is CCCCN(CCO)c1nnc(CCCl)o1.
What is the InChIKey of 2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The InChIKey is PSJNYQGSAIJZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-2-3-6-14(7-8-15)10-13-12-9(16-10)4-5-11/h15H,2-8H2,1H3.
What are the key properties of 2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol has a molecular weight of 247.73 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol is sourced from PubChem (CID 106956990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).