3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one

C20H20N6O4 — CID 138741459

IUPAC3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)ccc2[nH]1)c1noc(=O)[nH]1
InChIInChI=1S/C20H20N6O4/c1-12(17-24-20(27)30-25-17)29-19-22-16-7-6-15(21-18(16)23-19)13-2-4-14(5-3-13)26-8-10-28-11-9-26/h2-7,12H,8-11H2,1H3,(H,21,22,23)(H,24,25,27)
InChIKeyRVJXSPHBFBQOBW-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.28
Rot. Bonds5

About 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one

3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 138741459) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID138741459
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Name3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)ccc2[nH]1)c1noc(=O)[nH]1
InChIInChI=1S/C20H20N6O4/c1-12(17-24-20(27)30-25-17)29-19-22-16-7-6-15(21-18(16)23-19)13-2-4-14(5-3-13)26-8-10-28-11-9-26/h2-7,12H,8-11H2,1H3,(H,21,22,23)(H,24,25,27)
InChIKeyRVJXSPHBFBQOBW-UHFFFAOYSA-N
XLogP2.28
TPSA122.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal
CID 137403343
3-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136634852
1-[2-(4-methoxyphenyl)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-morpholin-4-ylphenyl)urea
CID 137282994
4-[4-(6-ethyl-5-methyl-2-pyridinyl)phenyl]morpholine
CID 121495176
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,2-dimethyl-3-pyridin-2-ylpropanoic acid
CID 71493116
4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 90275350
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]cyclobutan-1-amine
CID 90160685
4-(1H-indazol-5-yl)-6-(4-morpholin-4-ylphenyl)-1H-pyrimidin-2-one
CID 24759584
5-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-2-ol
CID 126576211
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
3-(4-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxamide
CID 68864303
5-(4-morpholin-4-ylphenyl)-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 134439517

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one (CID 138741459) is 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one is CC(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)ccc2[nH]1)c1noc(=O)[nH]1.
What is the InChIKey of 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is RVJXSPHBFBQOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-12(17-24-20(27)30-25-17)29-19-22-16-7-6-15(21-18(16)23-19)13-2-4-14(5-3-13)26-8-10-28-11-9-26/h2-7,12H,8-11H2,1H3,(H,21,22,23)(H,24,25,27).
What are the key properties of 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one?
3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 408.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]ethyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 138741459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).