3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine

C18H19FN2O2 — CID 174888085

IUPAC3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine
SMILESCC1(C)CN(OCc2ccccc2)C(c2ccc(F)cc2)=NO1
InChIInChI=1S/C18H19FN2O2/c1-18(2)13-21(22-12-14-6-4-3-5-7-14)17(20-23-18)15-8-10-16(19)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyLOQLXFVGBFXPLU-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.73
Rot. Bonds4

About 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine

3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine (PubChem CID 174888085) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine
PubChem CID174888085
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine
SMILESCC1(C)CN(OCc2ccccc2)C(c2ccc(F)cc2)=NO1
InChIInChI=1S/C18H19FN2O2/c1-18(2)13-21(22-12-14-6-4-3-5-7-14)17(20-23-18)15-8-10-16(19)11-9-15/h3-11H,12-13H2,1-2H3
InChIKeyLOQLXFVGBFXPLU-UHFFFAOYSA-N
XLogP3.73
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine?
The IUPAC name of 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine (CID 174888085) is 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine?
The canonical SMILES for 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine is CC1(C)CN(OCc2ccccc2)C(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine?
The InChIKey is LOQLXFVGBFXPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-18(2)13-21(22-12-14-6-4-3-5-7-14)17(20-23-18)15-8-10-16(19)11-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine?
3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine has a molecular weight of 314.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine is sourced from PubChem (CID 174888085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).