5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole

C18H22N4OS — CID 35362373

IUPAC5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-n2ccnc2SCc2noc(C(C)(C)C)n2)c1C
InChIInChI=1S/C18H22N4OS/c1-12-7-6-8-14(13(12)2)22-10-9-19-17(22)24-11-15-20-16(23-21-15)18(3,4)5/h6-10H,11H2,1-5H3
InChIKeyZWMFSOBPVLGVLI-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.46
Rot. Bonds4

About 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole

5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 35362373) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID35362373
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(-n2ccnc2SCc2noc(C(C)(C)C)n2)c1C
InChIInChI=1S/C18H22N4OS/c1-12-7-6-8-14(13(12)2)22-10-9-19-17(22)24-11-15-20-16(23-21-15)18(3,4)5/h6-10H,11H2,1-5H3
InChIKeyZWMFSOBPVLGVLI-UHFFFAOYSA-N
XLogP4.46
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 35362373) is 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole is Cc1cccc(-n2ccnc2SCc2noc(C(C)(C)C)n2)c1C.
What is the InChIKey of 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is ZWMFSOBPVLGVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-12-7-6-8-14(13(12)2)22-10-9-19-17(22)24-11-15-20-16(23-21-15)18(3,4)5/h6-10H,11H2,1-5H3.
What are the key properties of 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 342.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 35362373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).