5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

C17H18FN3O — CID 59262297

IUPAC5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
SMILESCN1OCC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N
InChIInChI=1S/C17H18FN3O/c1-17(11-22-21(2)16(19)20-17)14-7-3-5-12(9-14)13-6-4-8-15(18)10-13/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKeyRIRFPEJRSYRCEC-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.90
Rot. Bonds2

About 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (PubChem CID 59262297) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.

Molecular Properties

Compound Name5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
PubChem CID59262297
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
SMILESCN1OCC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N
InChIInChI=1S/C17H18FN3O/c1-17(11-22-21(2)16(19)20-17)14-7-3-5-12(9-14)13-6-4-8-15(18)10-13/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKeyRIRFPEJRSYRCEC-UHFFFAOYSA-N
XLogP2.90
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine 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 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The IUPAC name of 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (CID 59262297) is 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.
What is the SMILES notation for 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The canonical SMILES for 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is CN1OCC(C)(c2cccc(-c3cccc(F)c3)c2)N=C1N.
What is the InChIKey of 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The InChIKey is RIRFPEJRSYRCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-17(11-22-21(2)16(19)20-17)14-7-3-5-12(9-14)13-6-4-8-15(18)10-13/h3-10H,11H2,1-2H3,(H2,19,20).
What are the key properties of 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine has a molecular weight of 299.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluorophenyl)phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 59262297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).