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

C14H21ClN4O — CID 27500

IUPACdiethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride
SMILES[Cl-].[H]/N=c1\onc(-c2ccccc2)n1CC[NH+](CC)CC
InChIInChI=1S/C14H20N4O.ClH/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12;/h5-9,15H,3-4,10-11H2,1-2H3;1H/b15-14-;
InChIKeyOMMBWIJMWMSGBX-BGWNKZQTSA-N
MW296.80 g/mol
LogP-2.45
Rot. Bonds6

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

diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride (PubChem CID 27500) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride
PubChem CID27500
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Namediethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride
SMILES[Cl-].[H]/N=c1\onc(-c2ccccc2)n1CC[NH+](CC)CC
InChIInChI=1S/C14H20N4O.ClH/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12;/h5-9,15H,3-4,10-11H2,1-2H3;1H/b15-14-;
InChIKeyOMMBWIJMWMSGBX-BGWNKZQTSA-N
XLogP-2.45
TPSA59.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 5-2.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride?
The IUPAC name of diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride (CID 27500) is diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride?
The canonical SMILES for diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride is [Cl-].[H]/N=c1\onc(-c2ccccc2)n1CC[NH+](CC)CC.
What is the InChIKey of diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride?
The InChIKey is OMMBWIJMWMSGBX-BGWNKZQTSA-N. The full InChI is InChI=1S/C14H20N4O.ClH/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12;/h5-9,15H,3-4,10-11H2,1-2H3;1H/b15-14-;.
What are the key properties of diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride?
diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride has a molecular weight of 296.80 g/mol, XLogP of -2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethyl]azanium chloride is sourced from PubChem (CID 27500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).