5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one

C13H13F2N3O3 — CID 137462715

IUPAC5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2cc(F)c(N3CCOCC3)c(F)c2)CO1
InChIInChI=1S/C13H13F2N3O3/c14-9-5-8(11-7-21-13(19)17-16-11)6-10(15)12(9)18-1-3-20-4-2-18/h5-6H,1-4,7H2,(H,17,19)
InChIKeyIPFPICKSUDOWFY-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.25
Rot. Bonds2

About 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one

5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462715) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462715
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC Name5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2cc(F)c(N3CCOCC3)c(F)c2)CO1
InChIInChI=1S/C13H13F2N3O3/c14-9-5-8(11-7-21-13(19)17-16-11)6-10(15)12(9)18-1-3-20-4-2-18/h5-6H,1-4,7H2,(H,17,19)
InChIKeyIPFPICKSUDOWFY-UHFFFAOYSA-N
XLogP1.25
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462715) is 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2cc(F)c(N3CCOCC3)c(F)c2)CO1.
What is the InChIKey of 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is IPFPICKSUDOWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3/c14-9-5-8(11-7-21-13(19)17-16-11)6-10(15)12(9)18-1-3-20-4-2-18/h5-6H,1-4,7H2,(H,17,19).
What are the key properties of 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 297.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).