5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one

C10H9FN2O2 — CID 86165590

IUPAC5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCC1OC(=O)NN=C1c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2/c1-6-9(12-13-10(14)15-6)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyRTFHKCZQCVWBHU-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.66
Rot. Bonds1

About 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one

5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 86165590) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID86165590
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCC1OC(=O)NN=C1c1ccc(F)cc1
InChIInChI=1S/C10H9FN2O2/c1-6-9(12-13-10(14)15-6)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyRTFHKCZQCVWBHU-UHFFFAOYSA-N
XLogP1.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bay-2666605
CID 137465182
2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-
CID 112849
5-Benzyl-2,3-dihydro-1,3,4-oxadiazol-2-one
CID 14947440
US11427553, Example 162
CID 137462652
US11427553, Example 177
CID 137462657
US11427553, Example 83
CID 137462658
US11427553, Example 179
CID 137462688
US11427553, Example 88
CID 137462700
US11427553, Example 15
CID 137462707
US11427553, Example 112
CID 137462722
US11427553, Example 171
CID 137462729
US11427553, Example 267
CID 137462730

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 86165590) is 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one is CC1OC(=O)NN=C1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is RTFHKCZQCVWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6-9(12-13-10(14)15-6)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,13,14).
What are the key properties of 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 208.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 86165590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).