2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

C22H22N4O2S — CID 37174877

IUPAC2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CSc3nccn3-c3ccccc3C(C)C)o2)cc1
InChIInChI=1S/C22H22N4O2S/c1-15(2)18-6-4-5-7-19(18)26-13-12-23-22(26)29-14-20-24-25-21(28-20)16-8-10-17(27-3)11-9-16/h4-13,15H,14H2,1-3H3
InChIKeyZDHXZBNPQFLSNG-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.35
Rot. Bonds7

About 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 37174877) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID37174877
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CSc3nccn3-c3ccccc3C(C)C)o2)cc1
InChIInChI=1S/C22H22N4O2S/c1-15(2)18-6-4-5-7-19(18)26-13-12-23-22(26)29-14-20-24-25-21(28-20)16-8-10-17(27-3)11-9-16/h4-13,15H,14H2,1-3H3
InChIKeyZDHXZBNPQFLSNG-UHFFFAOYSA-N
XLogP5.35
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 134010479
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 24527625
2-(4-methoxyphenyl)-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 33011957
2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 35586810
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 40669203
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 134010477
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
CID 47024738
5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole
CID 134010501
2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 26968857
2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 34172318
2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole
CID 60560207
2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24579650

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 37174877) is 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(CSc3nccn3-c3ccccc3C(C)C)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is ZDHXZBNPQFLSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-15(2)18-6-4-5-7-19(18)26-13-12-23-22(26)29-14-20-24-25-21(28-20)16-8-10-17(27-3)11-9-16/h4-13,15H,14H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 406.51 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 37174877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).