(E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine

C15H13F2N5O3 — CID 11057201

IUPAC(E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine
SMILESCO/N=C(/C1=NCCON1)c1ccccc1Oc1ncnc(F)c1F
InChIInChI=1S/C15H13F2N5O3/c1-23-21-12(14-18-6-7-24-22-14)9-4-2-3-5-10(9)25-15-11(16)13(17)19-8-20-15/h2-5,8H,6-7H2,1H3,(H,18,22)/b21-12+
InChIKeyQSUYZJUVRWDNRZ-CIAFOILYSA-N
MW349.30 g/mol
LogP1.83
Rot. Bonds5

About (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine

(E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine (PubChem CID 11057201) has the molecular formula C15H13F2N5O3 and a molecular weight of 349.30 g/mol. Its IUPAC name is (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine
PubChem CID11057201
Molecular FormulaC15H13F2N5O3
Molecular Weight349.30 g/mol
Exact Mass349.10
IUPAC Name(E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine
SMILESCO/N=C(/C1=NCCON1)c1ccccc1Oc1ncnc(F)c1F
InChIInChI=1S/C15H13F2N5O3/c1-23-21-12(14-18-6-7-24-22-14)9-4-2-3-5-10(9)25-15-11(16)13(17)19-8-20-15/h2-5,8H,6-7H2,1H3,(H,18,22)/b21-12+
InChIKeyQSUYZJUVRWDNRZ-CIAFOILYSA-N
XLogP1.83
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine?
The IUPAC name of (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine (CID 11057201) is (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine is CO/N=C(/C1=NCCON1)c1ccccc1Oc1ncnc(F)c1F.
What is the InChIKey of (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine?
The InChIKey is QSUYZJUVRWDNRZ-CIAFOILYSA-N. The full InChI is InChI=1S/C15H13F2N5O3/c1-23-21-12(14-18-6-7-24-22-14)9-4-2-3-5-10(9)25-15-11(16)13(17)19-8-20-15/h2-5,8H,6-7H2,1H3,(H,18,22)/b21-12+.
What are the key properties of (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine?
(E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine has a molecular weight of 349.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(5,6-difluoropyrimidin-4-yl)oxyphenyl]-1-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-methoxymethanimine is sourced from PubChem (CID 11057201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).