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

C13H14FN3O3 — CID 137462706

IUPAC5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(N3CCOCC3)c(F)c2)CO1
InChIInChI=1S/C13H14FN3O3/c14-10-7-9(11-8-20-13(18)16-15-11)1-2-12(10)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,16,18)
InChIKeyDNLCENYRYRBODW-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.11
Rot. Bonds2

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

5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462706) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462706
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(N3CCOCC3)c(F)c2)CO1
InChIInChI=1S/C13H14FN3O3/c14-10-7-9(11-8-20-13(18)16-15-11)1-2-12(10)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,16,18)
InChIKeyDNLCENYRYRBODW-UHFFFAOYSA-N
XLogP1.11
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11427553, Example 65
CID 137462660
US11427553, Example 223
CID 137462689
US11427553, Example 242
CID 137462712
US11427553, Example 21
CID 137462715
US11427553, Example 239
CID 137462727
US11427553, Example 258
CID 137462728
US11427553, Example 253
CID 137462741
US11427553, Example 262
CID 137462747
US11427553, Example 252
CID 137462750
US11427553, Example 6
CID 137462796
US11427553, Example 264
CID 137462809
US11427553, Example 5
CID 137462811

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462706) is 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(N3CCOCC3)c(F)c2)CO1.
What is the InChIKey of 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is DNLCENYRYRBODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c14-10-7-9(11-8-20-13(18)16-15-11)1-2-12(10)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,16,18).
What are the key properties of 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 279.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-morpholin-4-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).