1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine

C17H17N3O — CID 15695435

IUPAC1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine
SMILESC(=N/CCC1=NC(c2ccccc2)ON1)\c1ccccc1
InChIInChI=1S/C17H17N3O/c1-3-7-14(8-4-1)13-18-12-11-16-19-17(21-20-16)15-9-5-2-6-10-15/h1-10,13,17H,11-12H2,(H,19,20)/b18-13+
InChIKeyPSOSYOPSSUZNLH-QGOAFFKASA-N
MW279.34 g/mol
LogP3.13
Rot. Bonds5

About 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine

1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine (PubChem CID 15695435) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine.

Molecular Properties

Compound Name1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine
PubChem CID15695435
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine
SMILESC(=N/CCC1=NC(c2ccccc2)ON1)\c1ccccc1
InChIInChI=1S/C17H17N3O/c1-3-7-14(8-4-1)13-18-12-11-16-19-17(21-20-16)15-9-5-2-6-10-15/h1-10,13,17H,11-12H2,(H,19,20)/b18-13+
InChIKeyPSOSYOPSSUZNLH-QGOAFFKASA-N
XLogP3.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine?
The IUPAC name of 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine (CID 15695435) is 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine.
What is the SMILES notation for 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine?
The canonical SMILES for 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine is C(=N/CCC1=NC(c2ccccc2)ON1)\c1ccccc1.
What is the InChIKey of 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine?
The InChIKey is PSOSYOPSSUZNLH-QGOAFFKASA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-7-14(8-4-1)13-18-12-11-16-19-17(21-20-16)15-9-5-2-6-10-15/h1-10,13,17H,11-12H2,(H,19,20)/b18-13+.
What are the key properties of 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine?
1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine has a molecular weight of 279.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)ethyl]methanimine is sourced from PubChem (CID 15695435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).