N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride

C14H21ClN4O — CID 23619293

IUPACN,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride
SMILESCl.[H]/N=c1\onc(-c2ccccc2)n1CCN(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
LogP2.39
Rot. Bonds6

About N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride

N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride (PubChem CID 23619293) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride
PubChem CID23619293
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC NameN,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride
SMILESCl.[H]/N=c1\onc(-c2ccccc2)n1CCN(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
XLogP2.39
TPSA58.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride (CID 23619293) is N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride is Cl.[H]/N=c1\onc(-c2ccccc2)n1CCN(CC)CC.
What is the InChIKey of N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride?
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 N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride?
N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 23619293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).