3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine

C17H15FN2O2 — CID 174888515

IUPAC3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
SMILESCC1=CN(OCc2ccccc2)C(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H15FN2O2/c1-13-11-20(21-12-14-5-3-2-4-6-14)17(19-22-13)15-7-9-16(18)10-8-15/h2-11H,12H2,1H3
InChIKeyGNYVSJIHYGCSBE-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.81
Rot. Bonds4

About 3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine

3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine (PubChem CID 174888515) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
PubChem CID174888515
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
SMILESCC1=CN(OCc2ccccc2)C(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H15FN2O2/c1-13-11-20(21-12-14-5-3-2-4-6-14)17(19-22-13)15-7-9-16(18)10-8-15/h2-11H,12H2,1H3
InChIKeyGNYVSJIHYGCSBE-UHFFFAOYSA-N
XLogP3.81
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.81
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-methyl-4-phenylmethoxy-1,2,4-oxadiazine?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine (CID 174888515) is 3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine is CC1=CN(OCc2ccccc2)C(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine?
The InChIKey is GNYVSJIHYGCSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-13-11-20(21-12-14-5-3-2-4-6-14)17(19-22-13)15-7-9-16(18)10-8-15/h2-11H,12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine?
3-(4-fluorophenyl)-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine has a molecular weight of 298.32 g/mol, XLogP of 3.81, 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-methyl-4-phenylmethoxy-1,2,4-oxadiazine is sourced from PubChem (CID 174888515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).