diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride

C14H20ClN3O — CID 14637

IUPACdiethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride
SMILESCC[NH+](CC)CCc1nc(-c2ccccc2)no1.[Cl-]
InChIInChI=1S/C14H19N3O.ClH/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H
InChIKeyYHLIBHCNFDRYFW-UHFFFAOYSA-N
MW281.79 g/mol
LogP-1.79
Rot. Bonds6

About diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride

diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride (PubChem CID 14637) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride
PubChem CID14637
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Namediethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride
SMILESCC[NH+](CC)CCc1nc(-c2ccccc2)no1.[Cl-]
InChIInChI=1S/C14H19N3O.ClH/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H
InChIKeyYHLIBHCNFDRYFW-UHFFFAOYSA-N
XLogP-1.79
TPSA43.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride?
The IUPAC name of diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride (CID 14637) is diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride?
The canonical SMILES for diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride is CC[NH+](CC)CCc1nc(-c2ccccc2)no1.[Cl-].
What is the InChIKey of diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride?
The InChIKey is YHLIBHCNFDRYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H.
What are the key properties of diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride?
diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride has a molecular weight of 281.79 g/mol, XLogP of -1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium chloride is sourced from PubChem (CID 14637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).