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

C14H20N4O — CID 27501

IUPACN,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine
SMILES[H]/N=c1\onc(-c2ccccc2)n1CCN(CC)CC
InChIInChI=1S/C14H20N4O/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/b15-14-
InChIKeyMGSPDRWOUCPKNZ-PFONDFGASA-N
MW260.34 g/mol
LogP1.96
Rot. Bonds6

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

N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine (PubChem CID 27501) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine
PubChem CID27501
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine
SMILES[H]/N=c1\onc(-c2ccccc2)n1CCN(CC)CC
InChIInChI=1S/C14H20N4O/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/b15-14-
InChIKeyMGSPDRWOUCPKNZ-PFONDFGASA-N
XLogP1.96
TPSA58.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.96
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?
The IUPAC name of N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine (CID 27501) is N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine is [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?
The InChIKey is MGSPDRWOUCPKNZ-PFONDFGASA-N. The full InChI is InChI=1S/C14H20N4O/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/b15-14-.
What are the key properties of N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine?
N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 27501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).