4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine

C18H21N5O4S — CID 50831762

IUPAC4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine
SMILESCc1cc(C)cc(-c2nc(Cn3cnc(S(=O)(=O)N4CCOCC4)c3)no2)c1
InChIInChI=1S/C18H21N5O4S/c1-13-7-14(2)9-15(8-13)18-20-16(21-27-18)10-22-11-17(19-12-22)28(24,25)23-3-5-26-6-4-23/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeySKIYBHARFZSLSO-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.62
Rot. Bonds5

About 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine

4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine (PubChem CID 50831762) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine
PubChem CID50831762
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine
SMILESCc1cc(C)cc(-c2nc(Cn3cnc(S(=O)(=O)N4CCOCC4)c3)no2)c1
InChIInChI=1S/C18H21N5O4S/c1-13-7-14(2)9-15(8-13)18-20-16(21-27-18)10-22-11-17(19-12-22)28(24,25)23-3-5-26-6-4-23/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeySKIYBHARFZSLSO-UHFFFAOYSA-N
XLogP1.62
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine with MolForge

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Related Compounds

3-[[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 53571103
3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-5-phenyl-1,2,4-oxadiazole
CID 91905565
1-methyl-1H-imidazol-4-yl {3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidino} sulfone
CID 91918641
1-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-4-sulfonamide
CID 91907237
1-[1-(1H-Imidazole-4-sulfonyl)piperidine-4-carbonyl]-4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-YL)piperidine
CID 91908228
3-({1-[(1,2-Dimethyl-1H-imidazol-4-YL)sulfonyl]pyrrolidin-3-YL}methyl)-5-phenyl-1,2,4-oxadiazole
CID 91911294
3-[3-(3-Methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]-4-morpholin-4-ylbenzenesulfonamide
CID 132359239
1-[(1-{[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-4-yl)sulfonyl]-4-methylpiperidine
CID 50831741
1-[(1-{[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-4-yl)sulfonyl]piperidine
CID 50831925
1-[(1-{[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1H-imidazol-4-yl)sulfonyl]piperidine
CID 50831952
[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 56377008
[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 56407239

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine (CID 50831762) is 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine is Cc1cc(C)cc(-c2nc(Cn3cnc(S(=O)(=O)N4CCOCC4)c3)no2)c1.
What is the InChIKey of 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine?
The InChIKey is SKIYBHARFZSLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-13-7-14(2)9-15(8-13)18-20-16(21-27-18)10-22-11-17(19-12-22)28(24,25)23-3-5-26-6-4-23/h7-9,11-12H,3-6,10H2,1-2H3.
What are the key properties of 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine?
4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine has a molecular weight of 403.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 50831762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).