3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one

C19H20FN3O2 — CID 58485432

IUPAC3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
SMILESCC1ON=C(c2ccc(N(C)C)cc2)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C19H20FN3O2/c1-13-19(24)23(12-14-5-4-6-16(20)11-14)18(21-25-13)15-7-9-17(10-8-15)22(2)3/h4-11,13H,12H2,1-3H3
InChIKeyQYKSENSSYYALLE-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.00
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one

3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one (PubChem CID 58485432) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
PubChem CID58485432
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one
SMILESCC1ON=C(c2ccc(N(C)C)cc2)N(Cc2cccc(F)c2)C1=O
InChIInChI=1S/C19H20FN3O2/c1-13-19(24)23(12-14-5-4-6-16(20)11-14)18(21-25-13)15-7-9-17(10-8-15)22(2)3/h4-11,13H,12H2,1-3H3
InChIKeyQYKSENSSYYALLE-UHFFFAOYSA-N
XLogP3.00
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one (CID 58485432) is 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one is CC1ON=C(c2ccc(N(C)C)cc2)N(Cc2cccc(F)c2)C1=O.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one?
The InChIKey is QYKSENSSYYALLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-19(24)23(12-14-5-4-6-16(20)11-14)18(21-25-13)15-7-9-17(10-8-15)22(2)3/h4-11,13H,12H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one?
3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one has a molecular weight of 341.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-4-[(3-fluorophenyl)methyl]-6-methyl-1,2,4-oxadiazin-5-one is sourced from PubChem (CID 58485432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).