3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

C16H14N4O2S — CID 42955584

IUPAC3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1ccc2nc(SC(C)c3nc(-c4ccco4)no3)[nH]c2c1
InChIInChI=1S/C16H14N4O2S/c1-9-5-6-11-12(8-9)18-16(17-11)23-10(2)15-19-14(20-22-15)13-4-3-7-21-13/h3-8,10H,1-2H3,(H,17,18)
InChIKeyOJMUJKBIMJSGFD-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.37
Rot. Bonds4

About 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole (PubChem CID 42955584) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
PubChem CID42955584
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1ccc2nc(SC(C)c3nc(-c4ccco4)no3)[nH]c2c1
InChIInChI=1S/C16H14N4O2S/c1-9-5-6-11-12(8-9)18-16(17-11)23-10(2)15-19-14(20-22-15)13-4-3-7-21-13/h3-8,10H,1-2H3,(H,17,18)
InChIKeyOJMUJKBIMJSGFD-UHFFFAOYSA-N
XLogP4.37
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole (CID 42955584) is 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole is Cc1ccc2nc(SC(C)c3nc(-c4ccco4)no3)[nH]c2c1.
What is the InChIKey of 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is OJMUJKBIMJSGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9-5-6-11-12(8-9)18-16(17-11)23-10(2)15-19-14(20-22-15)13-4-3-7-21-13/h3-8,10H,1-2H3,(H,17,18).
What are the key properties of 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 326.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42955584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).