N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine

C17H19N3O — CID 10062265

IUPACN-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine
SMILESc1ccc(CNCCC2=NC(c3ccccc3)ON2)cc1
InChIInChI=1S/C17H19N3O/c1-3-7-14(8-4-1)13-18-12-11-16-19-17(21-20-16)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2,(H,19,20)
InChIKeyGHVCGRGNOAAINP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.80
Rot. Bonds6

About N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine

N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 10062265) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID10062265
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine
SMILESc1ccc(CNCCC2=NC(c3ccccc3)ON2)cc1
InChIInChI=1S/C17H19N3O/c1-3-7-14(8-4-1)13-18-12-11-16-19-17(21-20-16)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2,(H,19,20)
InChIKeyGHVCGRGNOAAINP-UHFFFAOYSA-N
XLogP2.80
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine (CID 10062265) is N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine is c1ccc(CNCCC2=NC(c3ccccc3)ON2)cc1.
What is the InChIKey of N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is GHVCGRGNOAAINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-7-14(8-4-1)13-18-12-11-16-19-17(21-20-16)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2,(H,19,20).
What are the key properties of N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine?
N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 10062265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).