2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole

C19H17N3O4S — CID 2767805

IUPAC2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)n2ccc3c(OCc4nnc(C)o4)cccc32)cc1
InChIInChI=1S/C19H17N3O4S/c1-13-6-8-15(9-7-13)27(23,24)22-11-10-16-17(22)4-3-5-18(16)25-12-19-21-20-14(2)26-19/h3-11H,12H2,1-2H3
InChIKeyYIKQIAWNNYBIJI-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.46
Rot. Bonds5

About 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole

2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole (PubChem CID 2767805) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole
PubChem CID2767805
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)n2ccc3c(OCc4nnc(C)o4)cccc32)cc1
InChIInChI=1S/C19H17N3O4S/c1-13-6-8-15(9-7-13)27(23,24)22-11-10-16-17(22)4-3-5-18(16)25-12-19-21-20-14(2)26-19/h3-11H,12H2,1-2H3
InChIKeyYIKQIAWNNYBIJI-UHFFFAOYSA-N
XLogP3.46
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol
CID 11725119
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
methyl 1-(4-methylphenyl)sulfonylindole-4-carboxylate
CID 10947463
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
tert-butyl 2-[1-(benzenesulfonyl)indol-4-yl]oxyacetate
CID 142413165
(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine
CID 89415724
N-[4-[4-[2-(methylamino)ethoxy]indol-1-yl]sulfonylphenyl]acetamide
CID 23501278
bromo-tributyl-[[1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-λ5-phosphane
CID 13044880
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
CID 14880458
(5S)-3-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3-oxazolidin-2-one
CID 14179312
[1-(benzenesulfonyl)indol-4-yl]oxyboronic acid
CID 142772203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole (CID 2767805) is 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole is Cc1ccc(S(=O)(=O)n2ccc3c(OCc4nnc(C)o4)cccc32)cc1.
What is the InChIKey of 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole?
The InChIKey is YIKQIAWNNYBIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-13-6-8-15(9-7-13)27(23,24)22-11-10-16-17(22)4-3-5-18(16)25-12-19-21-20-14(2)26-19/h3-11H,12H2,1-2H3.
What are the key properties of 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole?
2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole has a molecular weight of 383.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2767805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).