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

C20H22N4O4 — CID 22632749

IUPAC2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one
SMILESO=C1COC(c2ncccc2OCCN2CCOCC2)=NN1c1ccccc1
InChIInChI=1S/C20H22N4O4/c25-18-15-28-20(22-24(18)16-5-2-1-3-6-16)19-17(7-4-8-21-19)27-14-11-23-9-12-26-13-10-23/h1-8H,9-15H2
InChIKeyPGFICHALJGDCRJ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.52
Rot. Bonds6

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

2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one (PubChem CID 22632749) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one
PubChem CID22632749
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one
SMILESO=C1COC(c2ncccc2OCCN2CCOCC2)=NN1c1ccccc1
InChIInChI=1S/C20H22N4O4/c25-18-15-28-20(22-24(18)16-5-2-1-3-6-16)19-17(7-4-8-21-19)27-14-11-23-9-12-26-13-10-23/h1-8H,9-15H2
InChIKeyPGFICHALJGDCRJ-UHFFFAOYSA-N
XLogP1.52
TPSA76.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one with MolForge

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Related Compounds

4-(2-fluorophenyl)-2-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3,4-oxadiazin-5-one
CID 22632757
4-(2-morpholin-4-ylethoxy)-2-phenylpyridine-3-carboxamide
CID 175950070
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
5-(morpholin-4-ylmethyl)-2-phenyl-4H-pyrazol-3-one
CID 86175824
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383008
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
2-ethyl-5-(2-morpholin-4-ylethoxy)-3-phenylquinazolin-4-one
CID 166785362
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599804
N,N-dichloro-2-(2-morpholin-4-ylethoxy)aniline
CID 142799192
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one?
The IUPAC name of 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one (CID 22632749) is 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one.
What is the SMILES notation for 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one?
The canonical SMILES for 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one is O=C1COC(c2ncccc2OCCN2CCOCC2)=NN1c1ccccc1.
What is the InChIKey of 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one?
The InChIKey is PGFICHALJGDCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-18-15-28-20(22-24(18)16-5-2-1-3-6-16)19-17(7-4-8-21-19)27-14-11-23-9-12-26-13-10-23/h1-8H,9-15H2.
What are the key properties of 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one?
2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one has a molecular weight of 382.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-phenyl-1,3,4-oxadiazin-5-one is sourced from PubChem (CID 22632749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).