N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine

C18H17FN2O — CID 136867229

IUPACN-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine
SMILESCC/N=C1/NC(c2ccc(F)cc2)C=C(c2ccccc2)O1
InChIInChI=1S/C18H17FN2O/c1-2-20-18-21-16(13-8-10-15(19)11-9-13)12-17(22-18)14-6-4-3-5-7-14/h3-12,16H,2H2,1H3,(H,20,21)
InChIKeyIGYPGBMFFFGTGZ-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.90
Rot. Bonds3

About N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine

N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine (PubChem CID 136867229) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine
PubChem CID136867229
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC NameN-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine
SMILESCC/N=C1/NC(c2ccc(F)cc2)C=C(c2ccccc2)O1
InChIInChI=1S/C18H17FN2O/c1-2-20-18-21-16(13-8-10-15(19)11-9-13)12-17(22-18)14-6-4-3-5-7-14/h3-12,16H,2H2,1H3,(H,20,21)
InChIKeyIGYPGBMFFFGTGZ-UHFFFAOYSA-N
XLogP3.90
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine?
The IUPAC name of N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine (CID 136867229) is N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine.
What is the SMILES notation for N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine?
The canonical SMILES for N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine is CC/N=C1/NC(c2ccc(F)cc2)C=C(c2ccccc2)O1.
What is the InChIKey of N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine?
The InChIKey is IGYPGBMFFFGTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-2-20-18-21-16(13-8-10-15(19)11-9-13)12-17(22-18)14-6-4-3-5-7-14/h3-12,16H,2H2,1H3,(H,20,21).
What are the key properties of N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine?
N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine has a molecular weight of 296.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine is sourced from PubChem (CID 136867229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).