4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one

C22H19FN4O2 — CID 46943673

IUPAC4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one
SMILESO=C1C(CCc2ccccc2)ON=C(c2cnccn2)N1Cc1ccc(F)cc1
InChIInChI=1S/C22H19FN4O2/c23-18-9-6-17(7-10-18)15-27-21(19-14-24-12-13-25-19)26-29-20(22(27)28)11-8-16-4-2-1-3-5-16/h1-7,9-10,12-14,20H,8,11,15H2
InChIKeyFMAAONTZPUFQKX-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.34
Rot. Bonds6

About 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one

4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one (PubChem CID 46943673) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one
PubChem CID46943673
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one
SMILESO=C1C(CCc2ccccc2)ON=C(c2cnccn2)N1Cc1ccc(F)cc1
InChIInChI=1S/C22H19FN4O2/c23-18-9-6-17(7-10-18)15-27-21(19-14-24-12-13-25-19)26-29-20(22(27)28)11-8-16-4-2-1-3-5-16/h1-7,9-10,12-14,20H,8,11,15H2
InChIKeyFMAAONTZPUFQKX-UHFFFAOYSA-N
XLogP3.34
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one (CID 46943673) is 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one is O=C1C(CCc2ccccc2)ON=C(c2cnccn2)N1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one?
The InChIKey is FMAAONTZPUFQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-18-9-6-17(7-10-18)15-27-21(19-14-24-12-13-25-19)26-29-20(22(27)28)11-8-16-4-2-1-3-5-16/h1-7,9-10,12-14,20H,8,11,15H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one?
4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one has a molecular weight of 390.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one is sourced from PubChem (CID 46943673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).