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

C17H15FN2O — CID 136867228

IUPAC4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine
SMILESC/N=C1/NC(c2ccc(F)cc2)C=C(c2ccccc2)O1
InChIInChI=1S/C17H15FN2O/c1-19-17-20-15(12-7-9-14(18)10-8-12)11-16(21-17)13-5-3-2-4-6-13/h2-11,15H,1H3,(H,19,20)
InChIKeyUTXJATMFXAISDM-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.51
Rot. Bonds2

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

4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine (PubChem CID 136867228) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine
PubChem CID136867228
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine
SMILESC/N=C1/NC(c2ccc(F)cc2)C=C(c2ccccc2)O1
InChIInChI=1S/C17H15FN2O/c1-19-17-20-15(12-7-9-14(18)10-8-12)11-16(21-17)13-5-3-2-4-6-13/h2-11,15H,1H3,(H,19,20)
InChIKeyUTXJATMFXAISDM-UHFFFAOYSA-N
XLogP3.51
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine (CID 136867228) is 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine is C/N=C1/NC(c2ccc(F)cc2)C=C(c2ccccc2)O1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine?
The InChIKey is UTXJATMFXAISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-19-17-20-15(12-7-9-14(18)10-8-12)11-16(21-17)13-5-3-2-4-6-13/h2-11,15H,1H3,(H,19,20).
What are the key properties of 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine?
4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine has a molecular weight of 282.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-6-phenyl-3,4-dihydro-1,3-oxazin-2-imine is sourced from PubChem (CID 136867228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).