4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one

C21H22FN3O4 — CID 22632757

IUPAC4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one
SMILESO=C1COC(c2ccccc2OCCN2CCOCC2)=NN1c1ccccc1F
InChIInChI=1S/C21H22FN3O4/c22-17-6-2-3-7-18(17)25-20(26)15-29-21(23-25)16-5-1-4-8-19(16)28-14-11-24-9-12-27-13-10-24/h1-8H,9-15H2
InChIKeyRHKWRGWEKVKTFD-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.26
Rot. Bonds6

About 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one

4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one (PubChem CID 22632757) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one
PubChem CID22632757
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one
SMILESO=C1COC(c2ccccc2OCCN2CCOCC2)=NN1c1ccccc1F
InChIInChI=1S/C21H22FN3O4/c22-17-6-2-3-7-18(17)25-20(26)15-29-21(23-25)16-5-1-4-8-19(16)28-14-11-24-9-12-27-13-10-24/h1-8H,9-15H2
InChIKeyRHKWRGWEKVKTFD-UHFFFAOYSA-N
XLogP2.26
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one
CID 22632749
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
2-(2-fluorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68849489
2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione
CID 170549572
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione
CID 170670656
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599804

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one?
The IUPAC name of 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one (CID 22632757) is 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one is O=C1COC(c2ccccc2OCCN2CCOCC2)=NN1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one?
The InChIKey is RHKWRGWEKVKTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c22-17-6-2-3-7-18(17)25-20(26)15-29-21(23-25)16-5-1-4-8-19(16)28-14-11-24-9-12-27-13-10-24/h1-8H,9-15H2.
What are the key properties of 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one?
4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one has a molecular weight of 399.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 22632757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).