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

C18H16N4O2S — CID 55552695

IUPAC5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCc1cccc(-n2ccnc2SCc2nc(-c3ccco3)no2)c1C
InChIInChI=1S/C18H16N4O2S/c1-12-5-3-6-14(13(12)2)22-9-8-19-18(22)25-11-16-20-17(21-24-16)15-7-4-10-23-15/h3-10H,11H2,1-2H3
InChIKeyBMXGXYBOYXSDRI-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.42
Rot. Bonds5

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

5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 55552695) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID55552695
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESCc1cccc(-n2ccnc2SCc2nc(-c3ccco3)no2)c1C
InChIInChI=1S/C18H16N4O2S/c1-12-5-3-6-14(13(12)2)22-9-8-19-18(22)25-11-16-20-17(21-24-16)15-7-4-10-23-15/h3-10H,11H2,1-2H3
InChIKeyBMXGXYBOYXSDRI-UHFFFAOYSA-N
XLogP4.42
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole (CID 55552695) is 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is Cc1cccc(-n2ccnc2SCc2nc(-c3ccco3)no2)c1C.
What is the InChIKey of 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is BMXGXYBOYXSDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12-5-3-6-14(13(12)2)22-9-8-19-18(22)25-11-16-20-17(21-24-16)15-7-4-10-23-15/h3-10H,11H2,1-2H3.
What are the key properties of 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole?
5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 352.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 55552695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).