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

C13H14FN3O3 — CID 154664115

IUPAC2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one
SMILESO=C1COC(c2ccc(N3CCOCC3)c(F)c2)=NN1
InChIInChI=1S/C13H14FN3O3/c14-10-7-9(13-16-15-12(18)8-20-13)1-2-11(10)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,18)
InChIKeyGZMCJJUZEZXZRX-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.47
Rot. Bonds2

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

2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one (PubChem CID 154664115) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one
PubChem CID154664115
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one
SMILESO=C1COC(c2ccc(N3CCOCC3)c(F)c2)=NN1
InChIInChI=1S/C13H14FN3O3/c14-10-7-9(13-16-15-12(18)8-20-13)1-2-11(10)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,18)
InChIKeyGZMCJJUZEZXZRX-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-fluorophenyl)diazenyl]phenyl]-4H-1,3,4-oxadiazin-5-one
CID 137644693
5-[4-Morpholino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424925
2-[4-[(3-chlorophenyl)methylamino]phenyl]-4H-1,3,4-oxadiazin-5-one
CID 137639104
2-[4-[(3-fluorophenyl)methylideneamino]phenyl]-4H-1,3,4-oxadiazin-5-one
CID 137655777
2-(4-aminophenyl)-5,6-dihydro-4H-1,3,4-oxadiazin-5-one
CID 14742844
2-[4-(benzylideneamino)phenyl]-4H-1,3,4-oxadiazin-5-one
CID 137633416
2-(4-Fluorophenyl)-4-(4-methylphenyl)-1,3,4-oxadiazin-5-one
CID 13883085
2-[4-[(3S)-3-hydroxypiperidin-1-yl]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one
CID 154664069
2-[4-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one
CID 154664081
2-[4-[[(2S)-3,3,3-trifluoro-2-methoxypropyl]amino]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one
CID 154664082
2-[4-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one
CID 154664088
2-[4-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-3-(trifluoromethyl)phenyl]-4H-1,3,4-oxadiazin-5-one
CID 154664096

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one?
The IUPAC name of 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one (CID 154664115) is 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one.
What is the SMILES notation for 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one?
The canonical SMILES for 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one is O=C1COC(c2ccc(N3CCOCC3)c(F)c2)=NN1.
What is the InChIKey of 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one?
The InChIKey is GZMCJJUZEZXZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c14-10-7-9(13-16-15-12(18)8-20-13)1-2-11(10)17-3-5-19-6-4-17/h1-2,7H,3-6,8H2,(H,15,18).
What are the key properties of 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one?
2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one has a molecular weight of 279.27 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-morpholin-4-ylphenyl)-4H-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 154664115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).