2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C22H22N4O2S — CID 24579650

IUPAC2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C(C)Sc3nccn3-c3cccc(C)c3C)o2)cc1
InChIInChI=1S/C22H22N4O2S/c1-14-6-5-7-19(15(14)2)26-13-12-23-22(26)29-16(3)20-24-25-21(28-20)17-8-10-18(27-4)11-9-17/h5-13,16H,1-4H3
InChIKeyWKIQJTZIUUNBIP-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.40
Rot. Bonds6

About 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 24579650) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID24579650
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C(C)Sc3nccn3-c3cccc(C)c3C)o2)cc1
InChIInChI=1S/C22H22N4O2S/c1-14-6-5-7-19(15(14)2)26-13-12-23-22(26)29-16(3)20-24-25-21(28-20)17-8-10-18(27-4)11-9-17/h5-13,16H,1-4H3
InChIKeyWKIQJTZIUUNBIP-UHFFFAOYSA-N
XLogP5.40
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43037199
2-(4-methoxyphenyl)-5-[1-(1-methylimidazol-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 18201150
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 9231117
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 40669203
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-[1-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 24606080
2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8644330
2-(4-methoxyphenyl)-5-[(1R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethyl]-1,3,4-oxadiazole
CID 41353480
2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37174877
2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8631512
2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
CID 8799663

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 24579650) is 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(C(C)Sc3nccn3-c3cccc(C)c3C)o2)cc1.
What is the InChIKey of 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is WKIQJTZIUUNBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-6-5-7-19(15(14)2)26-13-12-23-22(26)29-16(3)20-24-25-21(28-20)17-8-10-18(27-4)11-9-17/h5-13,16H,1-4H3.
What are the key properties of 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 406.51 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24579650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).