3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one

C20H22N4O4 — CID 6490110

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one
SMILESCC1CN(C(=O)Cn2nc(-c3cccc(-n4cccc4)c3)oc2=O)CC(C)O1
InChIInChI=1S/C20H22N4O4/c1-14-11-23(12-15(2)27-14)18(25)13-24-20(26)28-19(21-24)16-6-5-7-17(10-16)22-8-3-4-9-22/h3-10,14-15H,11-13H2,1-2H3
InChIKeyGWGRPEAUOHDMGU-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.93
Rot. Bonds4

About 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 6490110) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one
PubChem CID6490110
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one
SMILESCC1CN(C(=O)Cn2nc(-c3cccc(-n4cccc4)c3)oc2=O)CC(C)O1
InChIInChI=1S/C20H22N4O4/c1-14-11-23(12-15(2)27-14)18(25)13-24-20(26)28-19(21-24)16-6-5-7-17(10-16)22-8-3-4-9-22/h3-10,14-15H,11-13H2,1-2H3
InChIKeyGWGRPEAUOHDMGU-UHFFFAOYSA-N
XLogP1.93
TPSA82.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 46448814
3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 36694091
3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 94448175
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 9303406
6-cyclobutyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrimidin-4-one
CID 97073638
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2347297
3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 95337351
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one
CID 16675000
4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
CID 2585263
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27661543
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78782366
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one (CID 6490110) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one is CC1CN(C(=O)Cn2nc(-c3cccc(-n4cccc4)c3)oc2=O)CC(C)O1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is GWGRPEAUOHDMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14-11-23(12-15(2)27-14)18(25)13-24-20(26)28-19(21-24)16-6-5-7-17(10-16)22-8-3-4-9-22/h3-10,14-15H,11-13H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 382.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 6490110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).